4-[4-(1-苯并咪唑-2-基)苯氧基]邻苯二甲腈一水合物的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 4-[4-(1-benzo[]imidazol-2-yl)phen-oxy]phthalo-nitrile monohydrate.

作者信息

Sen Pinar, Kansiz Sevgi, Dege Necmi, Iskenderov Turganbay S, Yildiz S Zeki

机构信息

Uskudar University, Faculty of Engineering and Natural Sciences, Department of Forensic Science, 34662, Istanbul, Turkey.

Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jun 19;74(Pt 7):994-997. doi: 10.1107/S2056989018008745. eCollection 2018 Jul 1.

In the title compound, CHNO·HO, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) Å. An N-H⋯O hydrogen bond connects the organic and water mol-ecules. In the crystal, O-H⋯N hydrogen bonds link mol-ecules into a two-dimensional network parallel to (100). Hirshfeld surface analyses and two-dimensional fingerprint plots were used to qu-antify the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (28.7%), C⋯H/H⋯C (27.1%), N⋯H/H⋯N (26.4%), C⋯N/N⋯C (6.1%), O⋯H/H⋯O (3.7%) and C⋯C (6.0%) inter-actions.