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Crystal structure of ethyl 2-(2,4,5-tri-meth-oxy-phen-yl)quinoline-4-carboxyl-ate.

ABSTRACT: In the title compound, C21H21NO5, the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.028 Å) and the tri-meth-oxy-benzene ring is 43.38 (5)°. The C atoms of the meth-oxy groups deviate from their attached benzene ring by -0.396 (2), -0.049 (2) and 0.192 (2) Å for the ortho-, meta- and para-substituents, respectively. The pendant ethyl chain is disordered over two orientations in a 0.527 (5):0.473 (5) ratio. A short intra-molecular C-H⋯O contact closes an S(6) ring. In the crystal, inversion dimers linked by pairs of weak C-H⋯O inter-actions generate R 2 (2)(6) loops. The dimers are linked by further C-H⋯O inter-actions to generate [1-10] chains.

SUBMITTER: Shrungesh Kumar TO

PROVIDER: S-EPMC4518944 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 2-(2,4,5-tri-meth-oxy-phen-yl)quinoline-4-carboxyl-ate.

Shrungesh Kumar T O TO Naveen S S Kumara M N MN Mahadevan K M KM Lokanath N K NK

Acta crystallographica. Section E, Crystallographic communications 20150627 Pt 7

In the title compound, C21H21NO5, the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.028 Å) and the tri-meth-oxy-benzene ring is 43.38 (5)°. The C atoms of the meth-oxy groups deviate from their attached benzene ring by -0.396 (2), -0.049 (2) and 0.192 (2) Å for the ortho-, meta- and para-substituents, respectively. The pendant ethyl chain is disordered over two orientations in a 0.527 (5):0.473 (5) ratio. A short intra-molecular C-H⋯O contact closes an S(6) ring. In the ...[more]

PMID: 26279938

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