Crystal structure and Hirshfeld analysis of 2-[bis-(1-methyl-1 H -indol-3-yl)meth-yl]benzoic acid

In the title compound, C H N O , the dihedral angles between the 1-methyl-indole units ( and ) and the benzoic acid moiety ( ) are / = 64.87 (7), / = 80.92 (8) and / = 75.05 (8)°. An intra-molecular C-H⋯O inter-action arising from the methyne group helps to establish the conformation. In the crystal...

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Bibliographic Details
Published inActa crystallographica. Section E, Crystallographic communications Vol. 74; no. Pt 11; pp. 1580 - 1583
Main Authors Sapari, Suhaila, Wong, Sheryn, Ngatiman, Mohammad Fadzlee, Misral, Huda, Hasbullah, Siti Aishah
Format Journal Article
LanguageEnglish
Published England International Union of Crystallography 01.11.2018
Subjects
benzoic acid
crystal structure
indole derivatives
Research Communications
crystal structure
indole derivatives
benzoic acid
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Summary:In the title compound, C H N O , the dihedral angles between the 1-methyl-indole units ( and ) and the benzoic acid moiety ( ) are / = 64.87 (7), / = 80.92 (8) and / = 75.05 (8)°. An intra-molecular C-H⋯O inter-action arising from the methyne group helps to establish the conformation. In the crystal, (8) carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds are observed. A Hirshfeld surface analysis shows that the greatest contributions are from H⋯H, C⋯H/H⋯C and O⋯H/H⋯O contacts (percentage values = 54.6%, 29.6% and 10.1%, respectively).
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ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989018014160