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Molecules 2009, 14(3), 1234-1244; doi:10.3390/molecules14031234
Article

X-ray and Hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol

1,* , 1
,
1
,
1
 and
2
1 Departamento de Química, Universidad Nacional de Colombia, Ciudad Universitaria, Carrera 30 No. 45-03, Bogotá D.C., Colombia 2 Unidade de Difracción de Raios X, Edificio CACTUS, Universidade de Santiago de Compostela, Campus Sur, Santiago de Compostela, Galicia, Spain
* Author to whom correspondence should be addressed.
Received: 3 November 2008 / Revised: 21 January 2009 / Accepted: 20 February 2009 / Published: 23 March 2009
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Abstract

The solid state structure of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol, C17H13N3O, shows that this Mannich base crystallizes forming intermolecular N···HO hydrogen bonds, rather than intramolecular ones. Factors contributing to this choice of hydrogen-bonding mode are discussed. The compound crystallizes in the monoclinic system, P21/c space group, with lattice constants: a = 11.7934(9) Å, b = 14.3002(14) Å, c = 8.4444(8) Å, β = 106.243(5) deg, V = 1367.3(2) Å3, Z = 4, F(000) = 576, R1 = 6.96%, wR2 = 11.4%.
Keywords: Mannich bases; Benzotriazole; Intra-intermolecular hydrogen bond; 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol; Single crystal X-ray diffraction Mannich bases; Benzotriazole; Intra-intermolecular hydrogen bond; 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol; Single crystal X-ray diffraction
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Rivera, A.; Duarte, Y.; González-Salas, D.; Ríos-Motta, J.; Zaragoza, G. X-ray and Hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol. Molecules 2009, 14, 1234-1244.

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