Product Details of 98-97-5. Recently I am researching about HALIDE ION SYNTHON; CRYSTAL-STRUCTURES; INTERMOLECULAR INTERACTIONS; HYDROGEN-BONDS; MOLECULES; HIERARCHY; CROSSOVER; LIGANDS; METALS; BR, Saw an article supported by the Shahid Beheshti University; Iran National Science Foundation: INSFIran National Science Foundation (INSF) [95012237]; Center for High Performance Computing (SARMAD) at Shahid Beheshti University of Iran. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Khavasi, HR; Gholami, A; Hosseini, M; Nikpoor, L; Eskandari, K. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid
A family of 10 compounds, each containing a MX2-pyrazine carboxylate complex anion and a protonated halo- (X’-) amino pyridine cation (MX2 = ZnCl2, ZnBr2, ZnI2, HgBr2, and HgI2; X’ = Cl, Br, I), are presented; a suitable system for pursuing C-X’center dot center dot center dot X-M halogen bonding (XB). The influence of halogen manipulation, metal ion and coordination variation on the nature and strength of C-X’center dot center dot center dot X-M interactions was discussed in terms of geometrical parameters, binding energies and charge density analysis with emphasis on the Laplacian of the electron density, del(2)rho. Interplay of XBs with other noncovalent interactions, mainly N-H center dot center dot center dot XM and N-py-H+center dot center dot center dot O- bonds, in supramolecular assemblies, were also investigated. The C-X’center dot center dot center dot X-M and N-H center dot center dot center dot X-M bonds have rationally been modified in strength upon changing the halogens involved, leading to systematic variations in the crystal packing.
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Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem