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

Augusto Rivera; Yorley Duarte; Diego González-Salas; Jaime Ríos-Motta; Guillermo Zaragoza

doi:10.3390/molecules14031234

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

Molecules. 2009 Mar 23;14(3):1234-44. doi: 10.3390/molecules14031234.

Authors

Augusto Rivera¹, Yorley Duarte, Diego González-Salas, Jaime Ríos-Motta, Guillermo Zaragoza

Affiliation

¹ Departamento de Química, Universidad Nacional de Colombia, Ciudad Universitaria, Carrera 30 No. 45-03, Bogotá D.C., Colombia. ariverau@unal.edu.co

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, P2(1)/c space group, with lattice constants: a = 11.7934(9) A, b = 14.3002(14) A, c = 8.4444(8) A, beta = 106.243(5) deg, V = 1367.3(2) A(3), Z = 4, F(000) = 576, R(1) = 6.96%, wR(2) = 11.4%.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Crystallization
Crystallography, X-Ray
Hydrogen Bonding
Molecular Structure
Naphthalenes / chemistry*
Triazoles / chemistry*

Substances

1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol
Naphthalenes
Triazoles