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(E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)-3-(4-ethoxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(27)H(22)ClNO(2), the phenyl substituent on the quinoline ring system is almost perpendicular to it [dihedral angle = 88.2?(1)°]. The quinoline ring system and the ethoxy-phenyl ring are oriented at dihedral angles of 79.5?(1) and 17.6?(3)°, respectively, with respect to the almost planar [r.m.s. deviation= 0.037?(3)?Å] -C(=O)-C=C- linkage. In the crystal, the inversion-related mol-ecules exist as C-H?O hydrogen-bonded R(2) (2)(8) dimers.

SUBMITTER: Shahani T

PROVIDER: S-EPMC2979678 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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(E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)-3-(4-ethoxy-phen-yl)prop-2-en-1-one.

Shahani Tara T Fun Hoong-Kun HK Sarveswari S S Vijayakumar V V Ragavan R Venkat RV

Acta crystallographica. Section E, Structure reports online 20100116 Pt 2

In the title compound, C(27)H(22)ClNO(2), the phenyl substituent on the quinoline ring system is almost perpendicular to it [dihedral angle = 88.2 (1)°]. The quinoline ring system and the ethoxy-phenyl ring are oriented at dihedral angles of 79.5 (1) and 17.6 (3)°, respectively, with respect to the almost planar [r.m.s. deviation= 0.037 (3) Å] -C(=O)-C=C- linkage. In the crystal, the inversion-related mol-ecules exist as C-H⋯O hydrogen-bonded R(2) (2)(8) dimers. ...[more]

PMID: 21579796

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(E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)-3-(2-methoxy-phen-yl)prop-2-en-1-one.

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1-(6-Chloro-2-methyl-4-phenyl-quinolin-3-yl)-3-(3-methoxy-phen-yl)prop-2-en-1-one.

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Project description:In the title mol-ecule, C(23)H(16)ClNO, the quinoline and naphthalene ring systems are individually planar, with maximum deviations of 0.020?(2) and 0.033?(2)?Å, respectively, and are inclined at a dihedral angle of 30.01?(4)°. Intra-molecular C-H?O and C-H?Cl inter-actions occur. The crystal structure is devoid of any classical hydrogen bonds, but symmetry-related mol-ecules are linked via weak C-H?Cl inter-actions, forming chains propagating in [001].

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