What kind of challenge would you like to see in a future of compound:C5H4N2O2

Computed Properties of C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Li, S; Zhao, JA; Guo, Y; Mei, YM; Yuan, BP; Gan, N; Zhang, JS; Hu, JY; Hou, HW or send Email.

Recently I am researching about IN-VITRO; MITOCHONDRIAL; CISPLATIN; DNA; LIGANDS; CYTOTOXICITY; MECHANISMS; CRYSTAL; DAMAGE; CELLS, Saw an article supported by the Key Scientific Research Project of Colleges and Universities in Henan Province [19A150017]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21371046, 21401041]; Funding Program for Academic Technology Leaders of the He’nan University of Urban Construction [YCJXSJSDTR201705]. Published in ELSEVIER SCIENCE INC in NEW YORK ,Authors: Li, S; Zhao, JA; Guo, Y; Mei, YM; Yuan, BP; Gan, N; Zhang, JS; Hu, JY; Hou, HW. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid. Computed Properties of C5H4N2O2

Aiming at obtaining new copper complexes with good cytotoxicity against cancer cells, triphenylphosphine (TPP) was introduced to obtain insight into the influence of the co-ligands. In this paper, two copper complexes, Cu(2-pbmq)(CH3OH)Br-2 (1) and [Cu(2-pbmq)(TPP)Br](2) (2) were designed, synthesized, and characterized by X-ray crystallography, 2-((2-(pyrazin-2-yl)-1H-benzo[d]imidazol-1-yl)methyl))quinolone (2-pbmq), to investigate the influence of the TPP group on the anticancer activity of the metal complex. Although the presence of the TPP group diminished the intensity of the interaction properties of the complex with DNA, the in vitro anticancer activity and cellular uptake of the TPP-containing complex were markedly superior to those of its TPP-lacking counterpart. Detailed studies on the more potently cytotoxic complex 2 revealed that it accumulated in nucleus, arrested the cell cycle at the G0-G1 phase, causing mitochondrial dysfunction, involving the potential simultaneous mitochondrial membrane collapse, cellular ATP level depletion, and Ca2+ leakage, eventually inducing cell apoptosis. In summary, the introduction of a TPP group enhances the biological activity and cytotoxicity of the complex.

Computed Properties of C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Li, S; Zhao, JA; Guo, Y; Mei, YM; Yuan, BP; Gan, N; Zhang, JS; Hu, JY; Hou, HW or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Final Thoughts on Chemistry for Pyrazine-2-carboxylic acid

Name: Pyrazine-2-carboxylic acid. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

An article Spectroscopic and Theoretical Investigation of Color Tuning in Deep-Red Luminescent Iridium(III) Complexes WOS:000514488400018 published article about HIGHLY EFFICIENT; METAL-COMPLEXES; QUINOXALINE LIGANDS; 1ST EXAMPLES; PHOSPHORESCENT; EMISSION; BEARING; PHOTOPHYSICS; CONVERSION; DEVICES in [Stonelake, Thomas M.; Phillips, Kaitlin A.; Otaif, Haleema Y.; Edwardson, Zachary C.; Beames, Joseph M.; Pope, Simon J. A.] Cardiff Univ, Sch Chem, Cardiff CF10 3AT, Wales; [Horton, Peter N.; Coles, Simon J.] Univ Southampton, Fac Nat & Environm Sci, UK Natl Crystallog Serv, Chem, Southampton SO17 1BJ, Hants, England in 2020, Cited 60. Name: Pyrazine-2-carboxylic acid. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

A series of heteroleptic, neutral iridium(III) complexes of the form [Ir(L)(2)(N boolean AND O)] (where L = cyclometalated 2,3-disubstituted quinoxaline and N boolean AND O = ancillary picolinate or pyrazinoate) are described in terms of their synthesis and spectroscopic properties, with supporting computational analyses providing additional insight into the electronic. properties. The 10 [Ir(L)(2)(N boolean AND O)] complexes were characterized using a range of analytical techniques (including H-1, C-13, and F-19 NMR and IR spectroscopies and mass spectrometry). One of the examples was structurally characterized using X-ray diffraction. The redox properties were determined using cyclic voltammetry, and the electronic properties were investigated using UV-vis, time-resolved luminescence, and transient absorption spectroscopies. The complexes are phosphorescent in the red region of the visible spectrum (lambda(em) = 633-680 nm), with lifetimes typically of hundreds of nanoseconds and quantum yields ca. 5% in aerated chloroform. A combination of spectroscopic and computational analyses suggests that the long-wavelength absorption and emission properties of these complexes are strongly characterized by a combination of spin-forbidden metal-to-ligand charge-transfer and quinoxaline-centered transitions. The emission wavelength in these complexes can thus be controlled in two ways: first, substitution of the cyclometalating quinoxaline ligand can perturb both the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital levels (LUMO, Cl atoms on the ligand induce the largest bathochromic shift), and second, the choice of the ancillary ligand can influence the HOMO energy (pyrazinoate stabilizes the HOMO, inducing hypsochromic shifts).

Name: Pyrazine-2-carboxylic acid. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Let`s talk about compound :C5H4N2O2

Application In Synthesis of Pyrazine-2-carboxylic acid. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

Application In Synthesis of Pyrazine-2-carboxylic acid. I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Pentacyanoferrate(II) complex of pyridine-4-and pyrazine-2-hydroxamic acid as source of HNO: investigation of anti-tubercular and vasodilation activities published in 2020, Reprint Addresses Bernardes-Genisson, V (corresponding author), CNRS, Lab Chim Coordinat, LCC, UPR 8241, 205 Route Narbonne,BP 44099, F-31077 Toulouse 4, France.; Bernardes-Genisson, V (corresponding author), Univ Toulouse, Univ Paul Sabatier, UPS, 118 Route Narbonne, F-31062 Toulouse 9, France.; Sousa, EHS (corresponding author), Univ Fed Ceara, Dept Quim Organ & Inorgan, Grp Bioinorgen, Campus Pici, BR-60455760 Fortaleza, Ceara, Brazil.; Sousa, EHS (corresponding author), Inst Nacl Ciencia & Tecnol TB INCT TB, Porto Alegre, RS, Brazil.. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid.

A pharmacophore design approach, based on the coordination chemistry of an intimate molecular hybrid of active metabolites of pro-drugs, known to release active species upon enzymatic oxidative activation, is devised. This is exemplified by combining two anti-mycobacterial drugs: pyrazinamide (first line) and delamanid (third line) whose active metabolites are pyrazinoic acid (PyzCOOH) and likely nitroxyl (HNO (or NO.)), respectively. Aiming to generate those active species, a hybrid compound was envisaged by coordination of pyrazine-2-hydroxamic acid (PyzCONHOH) with a Na-3[Fe-II(CN)(5)] moiety. The corresponding pentacyanoferrate(II) complex Na-4[Fe-II(CN)(5)(PyzCONHO(-))] was synthesized and characterized by several spectroscopic techniques, cyclic voltammetry, and DFT calculations. Chemical oxidation of this complex with H(2)O(2)was shown to induce the release of the metabolite PyzCOOH, without the need of theMycobacterium tuberculosis(Mtb) pyrazinamidase enzyme (PncA). Control experiments show that both H2O2- and N-coordinated pyrazine Fe(II)species are required, ruling out a direct hydrolysis of the hydroxamic acid or an alternative oxidative route through chelation of a metal center by a hydroxamic group. The release of HNO was observed using EPR spectroscopy in the presence of a spin trapping agent. The devised iron metal complex of pyrazine-2-hydroxamic acid was found inactive against an actively growing/non-resistantMtbstrain; however, it showed a strong dose-dependent and reversible vasodilatory activity with mostly lesser toxic effects than the reference drug sodium nitroprussiate, unveiling thus a potential indication for acute or chronic cardiovascular pathology. This is a priori a further indirect evidence of HNO release from this metal complex, standing as a possible pharmacophore model for an alternative vasodilator drug.

Application In Synthesis of Pyrazine-2-carboxylic acid. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Simple exploration of Pyrazine-2-carboxylic acid

Formula: C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Liu, J; Zhang, GY; Zhang, Z; Li, B; Chai, F; Wang, Q; Zhou, ZD; Xu, LL; Wang, SK; Jin, Z; Tang, YZ or send Email.

In 2021 BIOORG CHEM published article about RESISTANCE; ANTIBIOTICS; ANIMALS in [Liu, Jie; Zhang, Guang-Yu; Zhang, Zhe; Li, Bo; Chai, Fei; Wang, Qi; Zhou, Zi-Dan; Xu, Ling-Ling; Wang, Shou-Kai; Jin, Zhen; Tang, You-Zhi] South China Agr Univ, Coll Vet Med, Guangdong Prov Key Lab Vet Pharmaceut Dev & Safet, Guangzhou 510642, Peoples R China; [Jin, Zhen; Tang, You-Zhi] Guangdong Lab Lingnan Modern Agr, Guangzhou 510642, Peoples R China in 2021, Cited 29. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5. Formula: C5H4N2O2

A class of pleuromutilin derivatives containing 1, 3, 4-oxadiazole were designed and synthesized as potential antibacterial agents against Methicillin-resistant staphylococcus aureus (MRSA). The ultrasound-assisted reaction was proposed as a green chemistry method to synthesize 1, 3, 4-oxadiazole derivatives (intermediates 85-110). Among these pleuromutilin derivatives, compound 133 was found to be the strongest antibacterial derivative against MRSA (MIC = 0.125 mu g/mL). Furthermore, the result of the time-kill curves displayed that compound 133 could inhibit the growth of MRSA in vitro quickly (- 4.36 log10 CFU/mL reduction). Then, compound 133 (1.82 log10 CFU/mL) displayed superior in vivo antibacterial efficacy than tiamulin (- 0.82 log10 CFU/mL) in reducing MRSA load in mice thigh model. Besides, compound 133 exhibited low cytotoxicity to RAW 264.7 cells. Molecular docking studies revealed that compound 133 was successfully localized in the binding pocket of 50S ribosomal subunit (delta Gb = -10.50 kcal/mol). The results indicated that these pleuromutilin derivatives containing 1, 3, 4-oxadiazole might be further developed into novel antibiotics against MRSA.

Formula: C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Liu, J; Zhang, GY; Zhang, Z; Li, B; Chai, F; Wang, Q; Zhou, ZD; Xu, LL; Wang, SK; Jin, Z; Tang, YZ or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Extracurricular laboratory: Synthetic route of Pyrazine-2-carboxylic acid

Computed Properties of C5H4N2O2. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

An article All Non-Carbon B3NO2 Exotic Heterocycles: Synthesis, Dynamics, and Catalysis WOS:000463234600006 published article about CARBOXYLIC-ACIDS; DIRECT AMIDATION; AMIDE SYNTHESIS; ESTERS; ALPHA; INHIBITORS; CHEMISTRY in [Opie, Christopher R.; Noda, Hidetoshi; Shibasaki, Masakatsu; Kumagai, Naoya] Inst Microbial Chem BIKAKEN, Shinagawa Ku, 3-14-23 Kamiosaki, Tokyo 1410021, Japan in 2019, Cited 63. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5. Computed Properties of C5H4N2O2

The B3NO2 six-membered heterocycle (1,3-dioxa-5-aza-2,4,6-triborinane = DATB), comprising three different non-carbon period 2 elements, has been recently demonstrated to be a powerful catalyst for dehydrative condensation of carboxylic acids and amines. The tedious synthesis of DATB, however, has significantly diminished its utility as a catalyst, and thus the inherent chemical properties of the ring system have remained virtually unexplored. Here, a general and facile synthetic strategy that harnesses a pyrimidine-containing scaffold for the reliable installation of boron atoms is disclosed, giving rise to a series of Pym-DATBs from inexpensive materials in a modular fashion. The identification of a soluble Pym-DATB derivative allowed for the investigation of the dynamic nature of the B3NO2 ring system, revealing differential ring-closing and -opening behaviors depending on the medium. Readily accessible Pym-DATBs proved their utility as efficient catalysts for dehydrative amidation with broad substrate scope and functional-group tolerance, offering a general and practical catalytic alternative to reagent-driven amidation.

Computed Properties of C5H4N2O2. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

What about chemistry interests you the most Pyrazine-2-carboxylic acid

Quality Control of Pyrazine-2-carboxylic acid. Welcome to talk about 98-97-5, If you have any questions, you can contact Wang, K; Hou, JH; Wei, TT; Zhang, CJ; Bai, RR; Xie, YY or send Email.

Quality Control of Pyrazine-2-carboxylic acid. In 2021 TETRAHEDRON LETT published article about C-H BOND; PALLADIUM-CATALYZED TRIFLUOROMETHYLATION; FLUORINATION; ALKENES; FUNCTIONALIZATION; ARYL; ACTIVATION; EFFICIENT; AMINOTRIFLUOROMETHYLATION; PERFLUOROALKYLATION in [Wang, Kai; Zhang, Changjun; Xie, Yuanyuan] Zhejiang Univ Technol, Collaborat Innovat Ctr Yangtze River Delta Reg Gr, Hangzhou 310014, Peoples R China; [Hou, Jiahao; Wei, Tingting; Bai, Renren; Xie, Yuanyuan] Zhejiang Univ Technol, Coll Pharmaceut Sci, Hangzhou 310014, Peoples R China in 2021, Cited 74. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

An eco-friendly and effective electrochemical process was developed for the ortho-trifluoromethylation of arylamines using CF3SO2Na as the trifluoromethyl source, affording the desired products in moderate to good yields with high regioselectivity under mild reaction conditions. Importantly, the requirement for both transition metals and oxidants utilized in previous methods were avoided. A radical mechanism was proposed on the basis of various control experiments. (C) 2020 Elsevier Ltd. All rights reserved.

Quality Control of Pyrazine-2-carboxylic acid. Welcome to talk about 98-97-5, If you have any questions, you can contact Wang, K; Hou, JH; Wei, TT; Zhang, CJ; Bai, RR; Xie, YY or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Archives for Chemistry Experiments of C5H4N2O2

Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.. Category: Pyrazines

An article Efficient synthesis of novel RGD based peptides and the conjugation of the pyrazine moiety to their N-terminus WOS:000459942300029 published article about ADHESION MOLECULE L1; CELL-ADHESION; INTEGRIN ALPHA(V)BETA(3); CYCLIC RGD; VITRONECTIN-RECEPTOR; MALIGNANT-MELANOMA; DISCOVERY; STRATEGIES; BINDING; DESIGN in [Hamdan, Fatima; Bigdeli, Zahra; Balalaie, Saeed] KN Toosi Univ Technol, Peptide Chem Res Ctr, POB 15875-4416, Tehran, Iran; [Balalaie, Saeed] Kermanshah Univ Med Sci, Med Biol Res Ctr, Kermanshah, Iran; [Sewald, Norbert; Michalek, Carmela] Bielefeld Univ, Dept Chem, Organ & Bioorgan Chem, Univ Str 25, D-33615 Bielefeld, Germany in 2019, Cited 97. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5. Category: Pyrazines

The synthesis of modified RGD peptides and their conjugation to the pyrazine skeleton at their N-terminus are described. To modify and alter the RGD sequence, short bioactive peptides such as FALKF and NGRG were added to the RGD N-terminus. Moreover, the in vitro investigation of these modified peptides, by a cell adhesion assay using the melanoma cell lines M21 expressing alpha(v)beta(3) and M21L lacking alpha(v) expression, was made and interestingly peptide 4 containing the pyrazine moiety with the linear RGDFAKLF sequence gave the best IC50 value with M21 and all the peptides were unable to bind to M21L, demonstrating the selective recognition to alpha(v)beta(3). The results showed pyrazine plays an essential role in the activity of the peptides. From these results, we can suggest that these peptides can affect cancer cells by abrogation of cell adhesion (cell migration).

Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.. Category: Pyrazines

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Discover the magic of the Pyrazine-2-carboxylic acid

Welcome to talk about 98-97-5, If you have any questions, you can contact Sharma, RK; Singh, V; Tiwari, N; Butcher, RJ; Katiyar, D or send Email.. Computed Properties of C5H4N2O2

Computed Properties of C5H4N2O2. Recently I am researching about ANTIFUNGAL; CONDENSATION; ALLOSAMIDIN; DERIVATIVES; RESISTANCE; COUMARINS; SCAFFOLD; ARGADIN; AGENTS, Saw an article supported by the Department of Science and Technology (DST), New Delhi, IndiaDepartment of Science & Technology (India) [EMR/2016/001396]; Council of Scientific and Industrial Research (CSIR), New Delhi, IndiaCouncil of Scientific & Industrial Research (CSIR) – India. Published in ACADEMIC PRESS INC ELSEVIER SCIENCE in SAN DIEGO ,Authors: Sharma, RK; Singh, V; Tiwari, N; Butcher, RJ; Katiyar, D. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid

A series of 3-amidocoumarins has been synthesized and tested in vitro for their anitimicrobial and chitinase inhibitory activities. Among these, compounds 5k, 5l, 8b-8d, 8f and 8g exhibited good antibacterial activity with MIC values in the range of 6.25-25 mu g/mL against some of the tested strains while compounds 5l, 8b, 8c and 8f showed good activity against at least one or two fungal strains. Some of the assayed compounds 5d, 5k, 5l, 8b and 8c displayed significant chitinase inhibitory activity with IC50, values in the range of 3.74-5.6 mu M. Among them, 5l proved to be potent chitinase inhibitor with IC50 value of 3.74 mu M. To better understand the enzyme-inhibitor interactions molecular docking study of all the synthesized compounds was carried out on Aspergillus fumigatus chitinase 1W9U. The compound 5l showed high binding affinity with the receptor with binding energy value of -8.44 Kcal/mol. This study also provides structure activity relationship (SAR) of synthesized compounds.

Welcome to talk about 98-97-5, If you have any questions, you can contact Sharma, RK; Singh, V; Tiwari, N; Butcher, RJ; Katiyar, D or send Email.. Computed Properties of C5H4N2O2

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Why do aromatic interactions matter of compound:98-97-5

Category: Pyrazines. Welcome to talk about 98-97-5, If you have any questions, you can contact Tomer, N; Goel, A; Ghule, VD; Malhotra, R or send Email.

In 2021 J MOL STRUCT published article about FLUORESCENT DETECTION; CHEMOSENSOR; PROBE; COPPER; PRECONCENTRATION; FE3+; SITE in [Tomer, Nisha; Goel, Apurva; Malhotra, Rajesh] Guru Jambheshwar Univ Sci & Technol, Dept Chem, Hisar 125001, Haryana, India; [Ghule, Vikas D.] Natl Inst Technol, Dept Chem, Kurukshetra 136119, Haryana, India in 2021, Cited 45. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5. Category: Pyrazines

A new chromone based Schiff base ligand L was synthesized by the condensation of 3-formyl chromone and pyrazine-2-carbohydrazide as a colorimetric probe to detect Cu (II) ions selectively. An instant visual colour change from colourless to yellow was obtained on addition of Cu2+ ions to the probe L solution, while other metal ions found ineffective. The ligand L was characterized by H-1 NMR, FTIR and HRMS spectral techniques. UV-Visible spectroscopic technique was used to study the sensing ability of probe L for copper ions above other metal ions. The Job’s plot obtained from absorption studies and HRMS data confirmed that the Cu2+ ions bind with ligand L in 1:1 stoichiometric ratio. DFT computations were also supported the binding framework between L and Cu (II) ions. The LOD value and the association constant were obtained 3.9 x 10(-7) M and 2.3 x 10(5) M-1 respectively, via Benesi-Hildebrand equation. Selectivity of L towards Cu2+ ions was also studied and it was found that the probe L worked specifically for copper ions without any considerable influence of other intruding metal ions. In addition, in real water samples, the ligand L was fully implemented for identification and quantification of Cu2+ ions. (C) 2020 Elsevier B.V. All rights reserved.

Category: Pyrazines. Welcome to talk about 98-97-5, If you have any questions, you can contact Tomer, N; Goel, A; Ghule, VD; Malhotra, R or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Why Are Children Getting Addicted To C5H4N2O2

Formula: C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Khavasi, HR; Balmohammadi, Y; Naghavi, SS or send Email.

I found the field of Chemistry very interesting. Saw the article Phenomenal Observation of Attractive Intermolecular CHMIDLINE HORIZONTAL ELLIPSISHC Interaction in a Mercury (II) Complex: An Experimental and First-Principles Study published in 2019. Formula: C5H4N2O2, Reprint Addresses Khavasi, HR (corresponding author), Shahid Beheshti Univ, Dept Inorgan Chem & Catalysis, Gen Campus, Tehran 1983963113, Iran.. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid

The nature of the attractive intermolecular C-H horizontal ellipsis H-C interaction, which could affect the crystal packing and solid-state molecular structure, is yet unknown. Here, a novel mercury (II) complex including N-(2-biphenyl)pyrazine-2-carboxamide ligand, one such system, has been synthesized and characterized by a single crystal X-ray diffraction. The existence of attractive intermolecular C-HMIDLINE HORIZONTAL ELLIPSISH-C interaction (-2.64 to -9.30 kj/mol depending on computational levels) is a notable feature in the crystal packing of this complex, which is the first observation of intermolecular C-HMIDLINE HORIZONTAL ELLIPSISH-C interaction in a metal complex. From crystallographic data, this contact has a distance of 2.172 angstrom which is 9.5% shorter than the sum of the van der Waals radii of two hydrogen atoms, which is the primary condition of having intermolecular interactions. We study the nature C-H horizontal ellipsis H-C interaction in the synthesized mercury (II) complex using periodic/non-periodic density functional theory in conjunction with quantum theory of atoms in molecules, non-covalent interaction reduced density gradient method, natural bond orbital, and energy decomposition analysis tools. Our results suggest that C-HMIDLINE HORIZONTAL ELLIPSISH-C interaction has closed-shell, donor-acceptor, and van der Waals nature.

Formula: C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Khavasi, HR; Balmohammadi, Y; Naghavi, SS or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem