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Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid di-methyl-formamide monosolvate.

ABSTRACT: The title compound, C22H17NO2·C3H7NO, was synthesized by condensation of an aromatic aldehyde with a secondary amine and subsequent reduction. It was crystallized from a di-methyl-formamide solution as a monosolvate, C22H17NO2·C3H7NO. The aromatic mol-ecule is non-planar with a dihedral angle between the mean planes of the aniline moiety and the methyl anthracene moiety of 81.36?(8)°. The torsion angle of the Car-yl-CH2-NH-Car-yl backbone is 175.9?(2)°. The crystal structure exhibits a three-dimensional supra-molecular network, resulting from hydrogen-bonding inter-actions between the carb-oxy-lic OH group and the solvent O atom as well as between the amine functionality and the O atom of the carb-oxy-lic group and additional C-H?? inter-actions. Hirshfeld surface analysis was performed to qu-antify the inter-molecular inter-actions.

SUBMITTER: Ahmed A 

PROVIDER: S-EPMC7199275 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid di-methyl-formamide monosolvate.

Ahmed Adeeba A   Ahmad Aiman A   Ahmad Musheer M   Kalibabchuk Valentina A VA  

Acta crystallographica. Section E, Crystallographic communications 20200424 Pt 5

The title compound, C<sub>22</sub>H<sub>17</sub>NO<sub>2</sub>·C<sub>3</sub>H<sub>7</sub>NO, was synthesized by condensation of an aromatic aldehyde with a secondary amine and subsequent reduction. It was crystallized from a di-methyl-formamide solution as a monosolvate, C<sub>22</sub>H<sub>17</sub>NO<sub>2</sub>·C<sub>3</sub>H<sub>7</sub>NO. The aromatic mol-ecule is non-planar with a dihedral angle between the mean planes of the aniline moiety and the methyl anthracene moiety of 81.36 (8)°. Th  ...[more]

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