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2-Bromo-N'-[(Z)-2-bromo-benzyl-idene]-5-methoxy-benzohydrazide.

ABSTRACT: In the title compound, C(15)H(12)Br(2)N(2)O(2), the mol-ecule adopts an E conformation about the C=N double bond and a transoid conformation about the central N-N bond, with a C(=O)-N-N-C(H) dihedral angle of 169.4?(4)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, leading to C(4) chains. The packing also features slipped ?-? stacking inter-actions, with a centroid-centroid separation of 3.838?(3)?Å and a slippage of 1.19?Å.

SUBMITTER: Li H

PROVIDER: S-EPMC2977412 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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2-Bromo-N'-[(Z)-2-bromo-benzyl-idene]-5-methoxy-benzohydrazide.

Li Hongqi H Sarojini B K BK Narayana B B Yathirajan H S HS Harrison William T A WT

Acta crystallographica. Section E, Structure reports online 20090704 Pt 8

In the title compound, C(15)H(12)Br(2)N(2)O(2), the mol-ecule adopts an E conformation about the C=N double bond and a transoid conformation about the central N-N bond, with a C(=O)-N-N-C(H) dihedral angle of 169.4 (4)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, leading to C(4) chains. The packing also features slipped π-π stacking inter-actions, with a centroid-centroid separation of 3.838 (3) Å and a slippage of 1.19 Å. ...[more]

PMID: 21583461

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(E)-N'-(5-Bromo-2-methoxy-benzyl-idene)-3-methoxy-benzohydrazide.

Project description:In the title compound, C(16)H(15)BrN(2)O(3), there are two independent mol-ecules (A and B) in the asymmetric unit. The major difference between the two mol-ecules is the dihedral angle formed by the aromatic rings [72.6 (2) and 18.8 (2)° for A and B, respectively]. The benzohydrazide groups are not planar and the mol-ecules exist in trans configurations with respect to the methyl-idene units. The mol-ecular packing is stabilized by two inter-molecular N-H⋯O hydrogen bonds, forming chains parallel to the c axis. Only the A mol-ecules of the asymmetric unit are held together by π-π inter-actions [centroid-centroid distance = 3.714 (3) Å].

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Project description:In the title compound, C(16)H(15)BrN(2)O(5)·2H(2)O, the dihedral angle between the two aromatic rings is 2.9 (2)° and an intra-molecular O-H⋯N hydrogen bond is observed. One of the water mol-ecule is disordered over two positions, with occupancies of 0.83 (3) and 0.17 (3). In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular O-H⋯O, O-H⋯(O,O), O-H⋯N and N-H⋯O hydrogen bonds. π-π inter-actions involving Br-substituted benzene rings, with a centroid-centroid distance of 3.552 (3) Å are also observed.

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