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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...

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Autores principales: Pérez-Pérez, Imelda, Martínez-Otero, Diego, Rojas-Lima, Susana, López-Ruiz, Heraclio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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