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Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl-idene}hydroxyl-amine.

ABSTRACT: The title compound, C15H14N4O, crystallizes with two mol-ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175?Å). In the first mol-ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69?(8) and 51.88?(6)°, respectively, with corresponding angles of 54.49?(7) and 49.61?(9)°, respectively, in the second mol-ecule. In the crystal, the two mol-ecules, together with their inversion-symmetry counterparts, are linked into tetra-mers by O-H?N hydrogen bonds. The tetra-mers form layers parallel to (211) through pairwise C-H?? inter-actions.

SUBMITTER: Mague JT 

PROVIDER: S-EPMC4257281 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl-idene}hydroxyl-amine.

Mague Joel T JT   Mohamed Shaaban K SK   Akkurt Mehmet M   El-Emary Talaat I TI   Albayati Mustafa R MR  

Acta crystallographica. Section E, Structure reports online 20141031 Pt 11

The title compound, C15H14N4O, crystallizes with two mol-ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first mol-ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second mol-ecule. In the crystal, the two mol-ecules, together with their inve  ...[more]

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