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

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 molecu...

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Bibliographic Details
Main Authors: Imelda Pérez-Pérez, Diego Martínez-Otero, Susana Rojas-Lima, Heraclio López-Ruiz
Format: Article
Language:English
Published: International Union of Crystallography 2015-02-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015000481
Description
Summary: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.
ISSN:2056-9890