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

In the title compound, C(26)H(22)N(2)O(2), the dihedral angles between the 1-methyl­indole units (A and B) and the benzoic acid moiety (C) are A/B = 64.87 (7), A/C = 80.92 (8) and B/C = 75.05 (8)°. An intra­molecular C—H⋯O inter­action arising from the methyne group helps to establish the conformati...

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Autores principales: Sapari, Suhaila, Wong, Sheryn, Ngatiman, Mohammad Fadzlee, Misral, Huda, Hasbullah, Siti Aishah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218917/
https://www.ncbi.nlm.nih.gov/pubmed/30443385
http://dx.doi.org/10.1107/S2056989018014160
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author Sapari, Suhaila
Wong, Sheryn
Ngatiman, Mohammad Fadzlee
Misral, Huda
Hasbullah, Siti Aishah
author_facet Sapari, Suhaila
Wong, Sheryn
Ngatiman, Mohammad Fadzlee
Misral, Huda
Hasbullah, Siti Aishah
author_sort Sapari, Suhaila
collection PubMed
description In the title compound, C(26)H(22)N(2)O(2), the dihedral angles between the 1-methyl­indole units (A and B) and the benzoic acid moiety (C) are A/B = 64.87 (7), A/C = 80.92 (8) and B/C = 75.05 (8)°. An intra­molecular C—H⋯O inter­action arising from the methyne group helps to establish the conformation. In the crystal, R (2) (2)(8) carb­oxy­lic 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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spelling pubmed-62189172018-11-15 Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid Sapari, Suhaila Wong, Sheryn Ngatiman, Mohammad Fadzlee Misral, Huda Hasbullah, Siti Aishah Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(26)H(22)N(2)O(2), the dihedral angles between the 1-methyl­indole units (A and B) and the benzoic acid moiety (C) are A/B = 64.87 (7), A/C = 80.92 (8) and B/C = 75.05 (8)°. An intra­molecular C—H⋯O inter­action arising from the methyne group helps to establish the conformation. In the crystal, R (2) (2)(8) carb­oxy­lic 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). International Union of Crystallography 2018-10-16 /pmc/articles/PMC6218917/ /pubmed/30443385 http://dx.doi.org/10.1107/S2056989018014160 Text en © Sapari et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Sapari, Suhaila
Wong, Sheryn
Ngatiman, Mohammad Fadzlee
Misral, Huda
Hasbullah, Siti Aishah
Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid
title Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid
title_full Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid
title_fullStr Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid
title_full_unstemmed Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid
title_short Crystal structure and Hirshfeld analysis of 2-[bis­(1-methyl-1H-indol-3-yl)meth­yl]benzoic acid
title_sort crystal structure and hirshfeld analysis of 2-[bis­(1-methyl-1h-indol-3-yl)meth­yl]benzoic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218917/
https://www.ncbi.nlm.nih.gov/pubmed/30443385
http://dx.doi.org/10.1107/S2056989018014160
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