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Published on: February 15, 2016
Crystal structure of 2-(2-amino-phen-yl)-1,3-benzoxazole
Imelda Pérez-Pérez1, Diego Martínez-Otero2, Susana Rojas-Lima1
1Área Académica de Química, Universidad Autónoma del Estado de Hidalgo, km. 4.5 Carretera Pachuca-Tulancingo, Mineral de la Reforma, Hidalgo CP 42184, Mexico.
Abstract:
Crystals of the title compound, C13H10N2O, were grown from a di-chloro-methane/ketone/methanol solvent mixture. It crystallizes with two mol-ecules, 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 mol-ecules A and B, respectively; r.m.s. overlay fit = 0.019 Å]. Each mol-ecule features an intra-molecular N-H⋯N hydrogen bond, which closes an S(6) ring and therefore establishes a syn relationship for the N atoms. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, generating [100] chains containing alternating A and B mol-ecules. 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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