Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl-1H-benzimidazol-3-ium chloride mononydrate
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1517-1528, 2018 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 74
- Publication Date: 2018
- Doi Number: 10.1107/s205698901801335x
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.1517-1528
- Keywords: crystal structure, imidazol, ethanaminium, ethanaminium chloride, Hirshfeld surface, COMPLEXES
- Open Archive Collection: AVESIS Open Access Collection
- Ondokuz Mayıs University Affiliated: Yes
Abstract
The asymmetric unit of the title compound, C8H11N32+ center dot 2Cl(- )center dot H2O, contains three organic cations, six chloride anions and three water molecules of crystallization, which are connected by extensive hydrogen-bonding interactions into a threedimensional supramolecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H center dot center dot center dot H (37.4%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (35.5%), C center dot center dot center dot H/H center dot center dot center dot C (9.5%) and C center dot center dot center dot C (6.9%) interactions.