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Crystal structure of phenyl N-(3,5-di-methyl-phenyl)carbamate.

ABSTRACT: The asymmetric unit of the title compound, C15H15NO2, contains two independent mol-ecules (A and B). The di-methyl-phenyl ring, the phenyl ring and the central carbamate N-C(=O)-O group are not coplanar. In mol-ecule A, the di-methyl-phenyl and phenyl rings are inclined to the carbamate group mean plane by 27.71 (13) and 71.70 (4)°, respectively, and to one another by 84.53 (13)°. The corresponding dihedral angles in mol-ecule B are 34.33 (11), 66.32 (13) and 85.48 (12)°, respectively. In the crystal, the A and B mol-ecules are arranged alternately linked through N-H⋯O(carbon-yl) hydrogen bonds, forming -A-B-A-B- chains, which extend along [100]. Within the chains and linking neighbouring chains there are C-H⋯π inter-actions present, forming columns along the a-axis direction. The columns are linked by offset π-π stacking inter-actions, forming a three-dimensional network [shortest centroid-centroid distance = 3.606 (1) Å].

SUBMITTER: AaminaNaaz Y 

PROVIDER: S-EPMC5458307 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of phenyl <i>N</i>-(3,5-di-methyl-phenyl)carbamate.

AaminaNaaz Y Y   Sathiyaraj Subramaniyan S   Kalaimani Sundararaj S   Nasar A Sultan AS   SubbiahPandi A A  

Acta crystallographica. Section E, Crystallographic communications 20170512 Pt 6

The asymmetric unit of the title compound, C<sub>15</sub>H<sub>15</sub>NO<sub>2</sub>, contains two independent mol-ecules (<i>A</i> and <i>B</i>). The di-methyl-phenyl ring, the phenyl ring and the central carbamate N-C(=O)-O group are not coplanar. In mol-ecule <i>A</i>, the di-methyl-phenyl and phenyl rings are inclined to the carbamate group mean plane by 27.71 (13) and 71.70 (4)°, respectively, and to one another by 84.53 (13)°. The corresponding dihedral angles in mol-ecule <i>B</i> are 34  ...[more]

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