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N'-[(E)-4-Bromo-benzyl-idene]-2-(4-isobutyl-phen-yl)propanohydrazide.

ABSTRACT: The asymmetric unit of the title compound, C(20)H(23)BrN(2)O, contains two independent mol-ecules (A and B), in which the orientations of the 4-isobutyl-phenyl units are different. The dihedral angle between the two benzene rings is 88.45?(8)° in mol-ecule A and 89.87?(8)° in mol-ecule B. Mol-ecules A and B are linked by a C-H?N hydrogen bond. In the crystal, mol-ecules are linked into chains running along the a axis by inter-molcular N-H?O and C-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?? inter-actions. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca. However, attempts to refine the structure in this space group resulted in a disorder model with high R (0.097) and wR (0.257) values. The crystal studied was an inversion twin with a 0.595?(4):0.405?(4) domain ratio.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2969560 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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N'-[(E)-4-Bromo-benzyl-idene]-2-(4-isobutyl-phen-yl)propanohydrazide.

Fun Hoong-Kun HK Quah Ching Kheng CK Sujith K V KV Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

The asymmetric unit of the title compound, C(20)H(23)BrN(2)O, contains two independent mol-ecules (A and B), in which the orientations of the 4-isobutyl-phenyl units are different. The dihedral angle between the two benzene rings is 88.45 (8)° in mol-ecule A and 89.87 (8)° in mol-ecule B. Mol-ecules A and B are linked by a C-H⋯N hydrogen bond. In the crystal, mol-ecules are linked into chains running along the a axis by inter-molcular N-H⋯O and C-H⋯O hydrogen bonds. The crystal structure is furt ...[more]

PMID: 21583058

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