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(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-methoxy-phenyl 4-bromo-benzene-sulfonate.

ABSTRACT: In the title compound, C(25)H(22)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 32.02?(14), 37.49?(18) and 80.52?(13)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. This conformation features a short intramolecular C-H?O contact that generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H?O=C hydrogen bonds occur.

SUBMITTER: Guo MJ

PROVIDER: S-EPMC2979573 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-methoxy-phenyl 4-bromo-benzene-sulfonate.

Guo Min-Jie MJ Chen Xin X Yao Jing-Xia JX

Acta crystallographica. Section E, Structure reports online 20100515 Pt 6

In the title compound, C(25)H(22)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 32.02 (14), 37.49 (18) and 80.52 (13)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. This conformation features a short intramolecular C-H⋯O contact that generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O=C hydrogen bonds occur. ...[more]

PMID: 21579444

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