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(2E)-1-(4-Amino-phen-yl)-3-(2-thien-yl)prop-2-en-1-one ethanol hemisolvate.

ABSTRACT: In the title compound, C(13)H(11)NOS·0.5C(2)H(6)O, the chalcone derivative is close to planar, the dihedral angle between the thio-phene and 4-amino-phenyl rings being 3.1?(2)°. The thio-phene ring is disordered over two orientations with occupancies of 0.842?(3) and 0.158?(3). In the crystal structure, mol-ecules are linked into chains along the b axis by N-H?O hydrogen bonds. The chains are crosslinked via N-H?? inter-actions involving the thio-phene ring. The ethanol solvent mol-ecule is also disordered over two positions, each with an occupancy of 0.25.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2970323 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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(2E)-1-(4-Amino-phen-yl)-3-(2-thien-yl)prop-2-en-1-one ethanol hemisolvate.

Fun Hoong-Kun HK Kobkeatthawin Thawanrat T Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10

In the title compound, C(13)H(11)NOS·0.5C(2)H(6)O, the chalcone derivative is close to planar, the dihedral angle between the thio-phene and 4-amino-phenyl rings being 3.1 (2)°. The thio-phene ring is disordered over two orientations with occupancies of 0.842 (3) and 0.158 (3). In the crystal structure, mol-ecules are linked into chains along the b axis by N-H⋯O hydrogen bonds. The chains are crosslinked via N-H⋯π inter-actions involving the thio-phene ring. The ethanol solvent mol-ecule is also ...[more]

PMID: 21577977

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(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2,5-dimethyl-3-thien-yl)prop-2-en-1-one.

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