Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid

被引：6

作者：

Jaquelin Cardenas-Valenzuela, A. ^{[1
]}

Gonzalez-Garcia, Gerardo ^{[2
]}

Zarraga-Nunez, Ramon ^{[2
]}

Hoepfl, Herbert ^{[3
]}

Campos-Gaxiola, Jose J. ^{[1
]}

Cruz-Enriquez, Adriana ^{[1
]}

机构：

[1] Univ Autonoma Sinaloa, Fac Ingn Mochis, Fuente Poseidon & Prol A Flores S-N, Cu Los Mochis 81223, Sinaloa, Mexico

[2] Univ Guanajuato, Dept Quim, Div Ciencias Nat & Exactas, Campus Guanajuato,Noria Alta S-N, Guanajuato 36050, Gto, Mexico

[3] Univ Autonoma Estado Morelos, Ctr Invest Quim, Inst Invest Ciencias Basicas & Aplicadas, Av Univ 1001, Cuernavaca 62209, Morelos, Mexico

来源：

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

关键词：

crystal structure; boronic acid; hydrogen bonding; offset pi-pi interactions; Hirshfeld surface analysis;

D O I：

10.1107/S2056989018003146

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C7H6BNO2, the mean plane of the -B(OH)(2) group is twisted by 21.28 (6)degrees relative to the cyanophenyl ring mean plane. In the crystal, molecules are linked by O-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds, forming chains propagating along the [101] direction. Offset pi-pi and B center dot center dot center dot pi stacking interactions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals interactions constitute a further major contribution to the intermolecular interactions, with H center dot center dot center dot H contacts accounting for 25.8% of the surface.

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收藏

页码：441 / +

页数：7

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