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(2E)-3-(4-Eth-oxy-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one monohydrate.

ABSTRACT: The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015?Å) with the benzene [dihedral angle = 63.80?(7) °] and chalcone [C-C-C-O torsion angle = -103.38?(18)°] substituents twisted significantly out of its plane. The configuration about the C=C bond [1.340?(2)?Å] is E. In the crystal, mol-ecules related by the 2(1) symmetry operation are linked along the b axis via water mol-ecules that form O-H?O(c) and O-H?N(q) hydrogen bonds (c = carbonyl and q = quinoline). A C-H?O inter-action also occurs.

SUBMITTER: Sarveswari S

PROVIDER: S-EPMC3011764 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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(2E)-3-(4-Eth-oxy-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one monohydrate.

Sarveswari S S Vijayakumar V V Prasath R R Narasimhamurthy T T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20101124 Pt 12

The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 Å) with the benzene [dihedral angle = 63.80 (7) °] and chalcone [C-C-C-O torsion angle = -103.38 (18)°] substituents twisted significantly out of its plane. The configuration about the C=C bond [1.340 (2) Å] is E. In the crystal, mol-ecules related by the 2(1) symmetry operation are linked along the b axis via water mol-ecules that form O-H⋯O(c) and O-H⋯N(q) hydrogen bonds (c = carbony ...[more]

PMID: 21589564

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