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

ABSTRACT: In the title compound, C₂₆H₂₂N₂O₂, the dihedral angles between the 1-methyl-indole 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 intra-molecular C-H⋯O inter-action arising from the methyne group helps to establish the conformation. In the crystal, R ₂ ²(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).

SUBMITTER: Sapari S

PROVIDER: S-EPMC6218917 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature

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

Sapari Suhaila S Wong Sheryn S Ngatiman Mohammad Fadzlee MF Misral Huda H Hasbullah Siti Aishah SA

Acta crystallographica. Section E, Crystallographic communications 20181016 Pt 11

In the title compound, C26H22N2O2, the dihedral angles between the 1-methyl-indole 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 intra-molecular C-H⋯O inter-action arising from the methyne group helps to establish the conformation. In the crystal, R 2 2(8) carb-oxy-lic acid inversion dimers linked b ...[more]

PMID: 30443385

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