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Crystal structure of 1-(2-amino-phen-yl)-3-phenyl-urea.

ABSTRACT: In the title compound, C13H13N3O, the phenyl ring makes a dihedral angle of 47.0?(1)° with the mean plane of the -NC(=O)N- unit, while the dihedral angle between the latter mean plane and the amino-phenyl ring is 84.43?(7)°. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds involving the central -NHC(=O)NH- units, forming chains running parallel to the b axis. These chains associate with one another via N-H?O and N-H?N hydrogen bonds, from the pendant amino groups to the -NHC(=O)NH- units of adjacent mol-ecules, forming columns propagating along [010]. The structure was refined as a two-component twin with a 0.933?(3):0.067?(3) domain ratio.

SUBMITTER: Mague JT

PROVIDER: S-EPMC4384537 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of 1-(2-amino-phen-yl)-3-phenyl-urea.

Mague Joel T JT Mohamed Shaaban K SK Akkurt Mehmet M Omran Omran A OA Albayati Mustafa R MR

Acta crystallographica. Section E, Crystallographic communications 20150110 Pt 2

In the title compound, C13H13N3O, the phenyl ring makes a dihedral angle of 47.0 (1)° with the mean plane of the -NC(=O)N- unit, while the dihedral angle between the latter mean plane and the amino-phenyl ring is 84.43 (7)°. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds involving the central -NHC(=O)NH- units, forming chains running parallel to the b axis. These chains associate with one another via N-H⋯O and N-H⋯N hydrogen bonds, from the pendant amino groups to the -NHC(=O)NH- ...[more]

PMID: 25878886

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