(2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate

(2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate

The title hydrate, C27H23NO2·H2O, 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...

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Main Authors: Edward R. T. Tiekink, R. Prasath, V. Vijayakumar, S. Sarveswari, T. Narasimhamurthy
Format: Article
Language:English
Published: International Union of Crystallography 2010-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810048026
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spelling doaj-95dbe7ce222146459e27e143f5f8383f2020-11-24T21:32:20ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3284o328410.1107/S1600536810048026(2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrateEdward R. T. TiekinkR. PrasathV. VijayakumarS. SarveswariT. NarasimhamurthyThe title hydrate, C27H23NO2·H2O, 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, molecules related by the 21 symmetry operation are linked along the b axis via water molecules that form O—H...Oc and O—H...Nq hydrogen bonds (c = carbonyl and q = quinoline). A C—H...O interaction also occurs. http://scripts.iucr.org/cgi-bin/paper?S1600536810048026
collection DOAJ
language English
format Article
sources DOAJ
author Edward R. T. Tiekink
R. Prasath
V. Vijayakumar
S. Sarveswari
T. Narasimhamurthy
spellingShingle Edward R. T. Tiekink
R. Prasath
V. Vijayakumar
S. Sarveswari
T. Narasimhamurthy
(2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
Acta Crystallographica Section E
author_facet Edward R. T. Tiekink
R. Prasath
V. Vijayakumar
S. Sarveswari
T. Narasimhamurthy
author_sort Edward R. T. Tiekink
title (2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
title_short (2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
title_full (2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
title_fullStr (2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
title_full_unstemmed (2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
title_sort (2e)-3-(4-ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-12-01
description The title hydrate, C27H23NO2·H2O, 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, molecules related by the 21 symmetry operation are linked along the b axis via water molecules that form O—H...Oc and O—H...Nq hydrogen bonds (c = carbonyl and q = quinoline). A C—H...O interaction also occurs.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810048026
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AT rprasath 2e34ethoxyphenyl12methyl4phenylquinolin3ylprop2en1onemonohydrate
AT vvijayakumar 2e34ethoxyphenyl12methyl4phenylquinolin3ylprop2en1onemonohydrate
AT ssarveswari 2e34ethoxyphenyl12methyl4phenylquinolin3ylprop2en1onemonohydrate
AT tnarasimhamurthy 2e34ethoxyphenyl12methyl4phenylquinolin3ylprop2en1onemonohydrate
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