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Crystal structure of 2-(2-amino-phen-yl)-1,3-benzoxazole.

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 ?-? stacking [minimum centroid-centroid separation = 3.6212?(9)?Å] links the chains into a three-dimensional network.

SUBMITTER: Perez-Perez I

PROVIDER: S-EPMC4384605 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of 2-(2-amino-phen-yl)-1,3-benzoxazole.

Pérez-Pérez Imelda I Martínez-Otero Diego D Rojas-Lima Susana S López-Ruiz Heraclio H

Acta crystallographica. Section E, Crystallographic communications 20150121 Pt 2

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 ...[more]

PMID: 25878815

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