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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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