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(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(14)H(9)BrO(3)S, the the prop-2-en-1-one (enone) fragment is close to planar [C-C-C-O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thio-phene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is 12.60 (18)°. Two C-H⋯O inter-actions help to consolidate the non-centrosymmetic crystal packing, which features undulating (100) sheets incorporating C(11) and C(12) chain motifs.

SUBMITTER: Harrison WT

PROVIDER: S-EPMC2983118 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien-yl)prop-2-en-1-one.

Harrison William T A WT Chidan Kumar C S CS Yathirajan H S HS Ashalatha B V BV Narayana B B

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

In the title mol-ecule, C(14)H(9)BrO(3)S, the the prop-2-en-1-one (enone) fragment is close to planar [C-C-C-O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thio-phene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is 12.60 (18)°. Two C-H⋯O inter-actions help to consolidate the non-centrosymmetic crystal packing, which features undulating (100) sheets incorporating C(11) and C(12) chain motifs. ...[more]

PMID: 21587478

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(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.

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