Unknown

Dataset Information

0

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

ABSTRACT: The title hydrate, C(26)H(21)NO·H(2)O, exhibits significant twists of the benzene ring [dihedral angle = 87.24?(6)°] and chalcone residue [C-C-C-C torsion angle = -94.46?(17)°] out of the plane through the quinoline ring system. The conformation about the C=C bond [1.341?(2)?Å] is E. The solvent water mol-ecule forms hydrogen bonds to carbonyl O and quinoline N atoms derived from two mol-ecules and through the application of a centre of inversion, a 16-membered {?HOH?OC(3)N}(2) synthon is formed to stabilize the resulting tetra-meric (two organic mol-ecules plus two water mol-ecules) aggregate. These are connected into a two-dimensional array via two C-H?O contacts, also involving the water mol-ecule. The layers stack along the c axis, being linked by C-H?? inter-actions.

SUBMITTER: Prasath R 

PROVIDER: S-EPMC3009190 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Prasath R R   Sarveswari S S   Vijayakumar V V   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20101002 Pt 11

The title hydrate, C(26)H(21)NO·H(2)O, exhibits significant twists of the benzene ring [dihedral angle = 87.24 (6)°] and chalcone residue [C-C-C-C torsion angle = -94.46 (17)°] out of the plane through the quinoline ring system. The conformation about the C=C bond [1.341 (2) Å] is E. The solvent water mol-ecule forms hydrogen bonds to carbonyl O and quinoline N atoms derived from two mol-ecules and through the application of a centre of inversion, a 16-membered {⋯HOH⋯OC(3)N}(2) synthon is formed  ...[more]

Similar Datasets

Unknown (2E)-3-(4-Eth-oxy-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one monohydrate.
| S-EPMC3011764 | biostudies-literature
Unknown (2E)-1-(2-Methyl-4-phenyl-quinolin-3-yl)-3-(3-methyl-thio-phen-2-yl)prop-2-en-1-one.
| S-EPMC3588408 | biostudies-literature
Unknown (2E)-1-(6-Chloro-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one.
| S-EPMC3052117 | biostudies-literature
Unknown (2E)-1-(6-Chloro-2-methyl-4-phenyl-quinolin-3-yl)-3-phenyl-prop-2-en-1-one.
| S-EPMC3006996 | biostudies-literature
Unknown (2E)-3-(2-Chloro-benzo[h]quinolin-3-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one.
| S-EPMC3884436 | biostudies-literature
Unknown (2E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-phenyl-prop-2-en-1-one.
| S-EPMC3588443 | biostudies-literature
Unknown 3-(4-Chloro-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one.
| S-EPMC3051952 | biostudies-literature
Unknown (2E)-3-(2-Chloro-7-methyl-quinolin-3-yl)-1-(6-chloro-2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one ethanol monosolvate.
| S-EPMC3884470 | biostudies-literature
Unknown (2E)-1-(3-Chloro-phen-yl)-3-phenyl-prop-2-en-1-one.
| S-EPMC2980116 | biostudies-literature
Unknown (2E)-3-(4-Bromo-phen-yl)-1-(2-methyl-4-phenyl-3-quinol-yl)prop-2-en-1-one.
| S-EPMC2979249 | biostudies-literature