A monoclinic polymorph of 5-[(1H-benzimidazol-1-yl)methyl]benzene-1,3dicarboxylic acid

被引:0
作者
Kuai, Hai-Wei [1 ]
机构
[1] Huaiyin Inst Technol, Fac Life Sci & Chem Engn, Huaian 223003, Peoples R China
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷
关键词
data-to-parameter ratio = 11.8; mean ̄(C-C) = 0.005 Å; R factor = 0.056; single-crystal X-ray study; T = 293 K; wR factor = 0.152;
D O I
10.1107/S1600536812041025
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
Crystals of the title compound, C16H12N2O4, were obtained accidentally by the hydrothermal reaction of 5-[(1H-benzo[d]imidazol-1-yl)methyl]isophthalic acid with manganese chloride tetrahydrate in the presence of KOH as alkaline reagent for the deprotonation. A triclinic polymorph of this structure has been reported previously from a similar reaction [Cheng (2011). Acta Cryst. E67, o3299]. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.020 (4) angstrom. The benzimidazole unit and benzene ring are inclined at a dihedral angle of 68.17 (4)degrees, reflecting the axial rotation of the flexible benzimidazolyl arm. In the crystal, pairs of O-H center dot center dot center dot O hydrogen bonds link adjacent molecules into inversion dimers. O-H center dot center dot center dot N contacts connect these dimers into zigzag chains along [010].
引用
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页码:O3068 / +
页数:8
相关论文
共 6 条
[1]  
Brandenburg K., 2000, DIAMOND
[2]  
Bruker, 2008, APEX2 SAINT
[3]   5-[(1H-Benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid [J].
Cheng, Xiao-Chun .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O3299-U267
[4]   Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures [J].
Macrae, Clare F. ;
Bruno, Ian J. ;
Chisholm, James A. ;
Edgington, Paul R. ;
McCabe, Patrick ;
Pidcock, Elna ;
Rodriguez-Monge, Lucia ;
Taylor, Robin ;
van de Streek, Jacco ;
Wood, Peter A. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 :466-470
[5]  
Sheldrick G.M., 1996, SADABS VERSION 2008
[6]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122