Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d] imidazol-2-yl)phenoxy]phthalo-nitrile monohydrate

被引：9

作者：

Sen, Pinar ^{[1
]}

Kansiz, Sevgi ^{[2
]}

Dege, Necmi ^{[2
]}

Iskenderov, Turganbay S. ^{[3
]}

Yildiz, S. Zeki ^{[4
]}

机构：

[1] Uskudar Univ, Fac Engn & Nat Sci, Dept Forens Sci, TR-34662 Istanbul, Turkey

[2] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Kurupelit, Turkey

[3] Taras Shevchenko Natl Univ Kyiv, Dept Chem, 64 Vladimirska Str, UA-01601 Kiev, Ukraine

[4] Sakarya Univ, Fac Arts & Sci, Dept Chem, TR-54187 Sakarya, Turkey

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2018年 / 74卷

关键词：

crystal structure; benzimidazole; hydrogen bonding; Hirshfeld surfaces;

D O I：

10.1107/S2056989018008745

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C21H12N4O center dot H2O, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) angstrom. An N-H center dot center dot center dot O hydrogen bond connects the organic and water molecules. In the crystal, O-H center dot center dot center dot N hydrogen bonds link molecules into a two-dimensional network parallel to (100). Hirshfeld surface analyses and two-dimensional fingerprint plots were used to quantify the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H center dot center dot center dot H (28.7%), C center dot center dot center dot H/H center dot center dot center dot C (27.1%), N center dot center dot center dot H/H center dot center dot center dot N (26.4%), C center dot center dot center dot N/N center dot center dot center dot C (6.1%), O center dot center dot center dot H/H center dot center dot center dot O (3.7%) and C center dot center dot center dot C (6.0%) interactions.

引用

页码：994 / +

页数：9

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