Crystal structure of 2-(2-amino­phen­yl)-1,3-benzoxazole

Acta Crystallographica Section E: Crystallographic Communications

Pé¹  Rojas-Lima, S.²  pez-Ruiz, H.³  rez, I.⁴  Martí⁵  Ló⁶  nez-Otero, D.⁷  rez-Pé⁸ 

[1] ÁCentro Conjunto de Investigaciómica Sustentable, UAEM-UNAM, carretera Toluca-Atlacomulco km. 14.5, CP 50200, Toluca, Estado de Mémica de Química, Universidad Autón en Quínoma del Estado de Hidalgo, km. 4.5 Carretera Pachuca-Tulancingo, Mineral de la Reforma, Hidalgo CP 42184, Mexico;rea Acadéxico, Mexico

关键词: CRYSTAL STRUCTURE;    BENZOXAZOLE;    N-H...N HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015000481

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Crystals of the title compound, C13H10N2O, 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.

【 授权许可】

CC BY