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Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate
The asymmetric unit of the title compound, C(15)H(15)NO(2), contains two independent molecules (A and B). The dimethylphenyl ring, the phenyl ring and the central carbamate N—C(=O)—O group are not coplanar. In molecule A, the dimethylphenyl and phenyl rings are inclined to the carbamate group...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458307/ https://www.ncbi.nlm.nih.gov/pubmed/28638642 http://dx.doi.org/10.1107/S2056989017006922 |
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author | AaminaNaaz, Y. Sathiyaraj, Subramaniyan Kalaimani, Sundararaj Nasar, A. Sultan SubbiahPandi, A. |
author_facet | AaminaNaaz, Y. Sathiyaraj, Subramaniyan Kalaimani, Sundararaj Nasar, A. Sultan SubbiahPandi, A. |
author_sort | AaminaNaaz, Y. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(15)H(15)NO(2), contains two independent molecules (A and B). The dimethylphenyl ring, the phenyl ring and the central carbamate N—C(=O)—O group are not coplanar. In molecule A, the dimethylphenyl 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 molecule B are 34.33 (11), 66.32 (13) and 85.48 (12)°, respectively. In the crystal, the A and B molecules are arranged alternately linked through N—H⋯O(carbonyl) hydrogen bonds, forming –A–B–A–B– chains, which extend along [100]. Within the chains and linking neighbouring chains there are C—H⋯π interactions present, forming columns along the a-axis direction. The columns are linked by offset π–π stacking interactions, forming a three-dimensional network [shortest centroid–centroid distance = 3.606 (1) Å]. |
format | Online Article Text |
id | pubmed-5458307 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54583072017-06-21 Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate AaminaNaaz, Y. Sathiyaraj, Subramaniyan Kalaimani, Sundararaj Nasar, A. Sultan SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(15)H(15)NO(2), contains two independent molecules (A and B). The dimethylphenyl ring, the phenyl ring and the central carbamate N—C(=O)—O group are not coplanar. In molecule A, the dimethylphenyl 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 molecule B are 34.33 (11), 66.32 (13) and 85.48 (12)°, respectively. In the crystal, the A and B molecules are arranged alternately linked through N—H⋯O(carbonyl) hydrogen bonds, forming –A–B–A–B– chains, which extend along [100]. Within the chains and linking neighbouring chains there are C—H⋯π interactions present, forming columns along the a-axis direction. The columns are linked by offset π–π stacking interactions, forming a three-dimensional network [shortest centroid–centroid distance = 3.606 (1) Å]. International Union of Crystallography 2017-05-12 /pmc/articles/PMC5458307/ /pubmed/28638642 http://dx.doi.org/10.1107/S2056989017006922 Text en © AaminaNaaz et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications AaminaNaaz, Y. Sathiyaraj, Subramaniyan Kalaimani, Sundararaj Nasar, A. Sultan SubbiahPandi, A. Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate |
title | Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate |
title_full | Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate |
title_fullStr | Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate |
title_full_unstemmed | Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate |
title_short | Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate |
title_sort | crystal structure of phenyl n-(3,5-dimethylphenyl)carbamate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458307/ https://www.ncbi.nlm.nih.gov/pubmed/28638642 http://dx.doi.org/10.1107/S2056989017006922 |
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