The role of water and iodine in supramolecular assembly of a 2D coordination of benzimidazole derivate: X-ray crystallography and DFT calculations
Sahaj A. Gandhi,
Saurabh S. Soni,
Urmila H. Patel
et al.
Abstract:We describe the synthesis and crystal structure of DBZIW, 1,3-Dimethyl-3H-benzimidazol-1-ium iodide monohydrate, which crystallizes in a monoclinic system with space group P21/c and Z = 4. The asymmetric unit contains a molecule of [C9 H11N2]+, an iodine ion I−, and a water molecule. Water oxygen O1 and iodine ion I− (O-H...I) connection display significant involvement in hydrogen bond interactions in the molecular packing of DBZIW. The network of C-H...O hydrogen bond contacts plays an essential part in the s… Show more
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