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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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Detalles Bibliográficos
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
Descripción
Sumario: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.