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(E)-3-[3-(4-Bromo-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-1-(2,4-dichloro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(24)H(15)BrCl(2)N(2)O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromo-benzene (B) rings are 10.34?(16) and 40.95?(15)°, respectively. The dihedral angle between rings A and B is 56.89?(17)°. The title mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H?O hydrogen bonds, generating R(2) (2)(14) loops. The crystal structure is further consolidated by C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3247489 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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(E)-3-[3-(4-Bromo-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-1-(2,4-dichloro-phen-yl)prop-2-en-1-one.

Fun Hoong-Kun HK Quah Ching Kheng CK Malladi Shridhar S Isloor Arun M AM Shivananda Kammasandra N KN

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title mol-ecule, C(24)H(15)BrCl(2)N(2)O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromo-benzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. The title mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H⋯O hydrogen bonds, generating R(2) (2)(14) loops. The crystal structure is ...[more]

PMID: 22220107

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