Crystal structure of 2-(2-aminophenyl)-1, 3-benzox-azole

Imelda Pérez-Pérez; Diego Martínez-Otero; Susana Rojas-Lima; Heraclio López-Ruiz; W. T A Harrison

doi:10.1107/S2056989015000481

Crystal structure of 2-(2-aminophenyl)-1, 3-benzox-azole

Imelda Pérez-Pérez^*, Diego Martínez-Otero, Susana Rojas-Lima, Heraclio López-Ruiz, W. T A Harrison (Editor)

^*Corresponding author for this work

Chemistry

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Abstract

Crystals of the title compound, C₁₃H₁₀N₂O, were grown from a dichloro-methane/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.

Original language	English
Pages (from-to)	188-191
Number of pages	4
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	2
Early online date	21 Jan 2015
DOIs	https://doi.org/10.1107/S2056989015000481
Publication status	Published - 1 Feb 2015

Bibliographical note

Acknowledgements
We gratefully acknowledge financial support from CONACyT (CB-2012–01-182415, CB-2009–135172). IPP is also grateful to CONACyT for a scholarship (grant 206301) to support her
studies.

Keywords

Benzoxazole
Crystal structure
N - H⋯N hydrogen bonding

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10.1107/S2056989015000481Licence: CC BY

Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole
© 2015 Pérez-Pérezet al. Licence: Creative Commons Attribution (CC-BY) https://creativecommons.org/licenses/by/4.0/
Final published version, 376 KBLicence: CC BY

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title = "Crystal structure of 2-(2-aminophenyl)-1, 3-benzox-azole",

abstract = "Crystals of the title compound, C13H10N2O, were grown from a dichloro-methane/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 {\AA}]. 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) {\AA}] links the chains into a three-dimensional network.",

keywords = "Benzoxazole, Crystal structure, N - H⋯N hydrogen bonding",

author = "Imelda P{\'e}rez-P{\'e}rez and Diego Mart{\'i}nez-Otero and Susana Rojas-Lima and Heraclio L{\'o}pez-Ruiz and Harrison, {W. T A}",

note = "Acknowledgements We gratefully acknowledge financial support from CONACyT (CB-2012–01-182415, CB-2009–135172). IPP is also grateful to CONACyT for a scholarship (grant 206301) to support her studies.",

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doi = "10.1107/S2056989015000481",

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AU - Pérez-Pérez, Imelda

AU - Martínez-Otero, Diego

AU - Rojas-Lima, Susana

AU - López-Ruiz, Heraclio

A2 - Harrison, W. T A

N1 - Acknowledgements We gratefully acknowledge financial support from CONACyT (CB-2012–01-182415, CB-2009–135172). IPP is also grateful to CONACyT for a scholarship (grant 206301) to support her studies.

PY - 2015/2/1

Y1 - 2015/2/1

N2 - Crystals of the title compound, C13H10N2O, were grown from a dichloro-methane/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.

AB - Crystals of the title compound, C13H10N2O, were grown from a dichloro-methane/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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KW - Crystal structure

KW - N - H⋯N hydrogen bonding

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Crystal structure of 2-(2-aminophenyl)-1, 3-benzox-azole

Abstract

Bibliographical note

Keywords

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