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Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole
Crystals of the title compound, C(13)H(10)N(2)O, were grown from a dichloromethane/ketone/methanol solvent mixture. It crystallizes with two molecules, A and B, in the asymmetric unit with very similar almost planar conformations [dihedral angles between the ring planes = 0.74 (8) and 0.67 (6)° f...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384605/ https://www.ncbi.nlm.nih.gov/pubmed/25878815 http://dx.doi.org/10.1107/S2056989015000481 |
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author | Pérez-Pérez, Imelda Martínez-Otero, Diego Rojas-Lima, Susana López-Ruiz, Heraclio |
author_facet | Pérez-Pérez, Imelda Martínez-Otero, Diego Rojas-Lima, Susana López-Ruiz, Heraclio |
author_sort | Pérez-Pérez, Imelda |
collection | PubMed |
description | Crystals of the title compound, C(13)H(10)N(2)O, were grown from a dichloromethane/ketone/methanol solvent mixture. It crystallizes with two molecules, A and B, in the asymmetric unit with very similar almost planar conformations [dihedral angles between the ring planes = 0.74 (8) and 0.67 (6)° for molecules A and B, respectively; r.m.s. overlay fit = 0.019 Å]. Each molecule features an intramolecular N—H⋯N hydrogen bond, which closes an S(6) ring and therefore establishes a syn relationship for the N atoms. In the crystal, molecules are linked by N—H⋯N hydrogen bonds, generating [100] chains containing alternating A and B molecules. Weak aromatic π–π stacking [minimum centroid–centroid separation = 3.6212 (9) Å] links the chains into a three-dimensional network. |
format | Online Article Text |
id | pubmed-4384605 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43846052015-04-15 Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole Pérez-Pérez, Imelda Martínez-Otero, Diego Rojas-Lima, Susana López-Ruiz, Heraclio Acta Crystallogr E Crystallogr Commun Research Communications Crystals of the title compound, C(13)H(10)N(2)O, were grown from a dichloromethane/ketone/methanol solvent mixture. It crystallizes with two molecules, A and B, in the asymmetric unit with very similar almost planar conformations [dihedral angles between the ring planes = 0.74 (8) and 0.67 (6)° for molecules A and B, respectively; r.m.s. overlay fit = 0.019 Å]. Each molecule features an intramolecular N—H⋯N hydrogen bond, which closes an S(6) ring and therefore establishes a syn relationship for the N atoms. In the crystal, molecules are linked by N—H⋯N hydrogen bonds, generating [100] chains containing alternating A and B molecules. Weak aromatic π–π stacking [minimum centroid–centroid separation = 3.6212 (9) Å] links the chains into a three-dimensional network. International Union of Crystallography 2015-01-21 /pmc/articles/PMC4384605/ /pubmed/25878815 http://dx.doi.org/10.1107/S2056989015000481 Text en © Pérez-Pérez et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Pérez-Pérez, Imelda Martínez-Otero, Diego Rojas-Lima, Susana López-Ruiz, Heraclio Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
title | Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
title_full | Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
title_fullStr | Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
title_full_unstemmed | Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
title_short | Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
title_sort | crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384605/ https://www.ncbi.nlm.nih.gov/pubmed/25878815 http://dx.doi.org/10.1107/S2056989015000481 |
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