Methyl 1H-1,2,3-triazole-4-carboxylate

Prabakaran, K and Maiyalagan, T and Hathwar, Venkatesha R and Kazak, Canan and Khan, F Nawaz (2009) Methyl 1H-1,2,3-triazole-4-carboxylate. In: Acta Crystallographica Section E, 65 (Part 2). O300.

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Abstract

The title compound, C4H5N3O2, features an essentially planar molecule (r.m.s. deviation for all non-H atoms = 0.013 angstrom). The crystal structure is stabilized by intermolecular N-H center dot center dot center dot O hydrogen bonds and pi-pi stacking interactions (centroid centroid distance 3.882 angstrom).

Item Type:	Journal Article
Publication:	Acta Crystallographica Section E
Publisher:	International Union of Crystallography
Additional Information:	Copyright of this article belongs to International Union of Crystallography.
Keywords:	single-crystal X-ray study;T = 290 K;mean _(C–C) = 0.002 A°;R factor = 0.039; wR factor = 0.116;data-to-parameter ratio = 12.1.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	06 Nov 2009 07:05
Last Modified:	19 Sep 2010 05:28
URI:	http://eprints.iisc.ac.in/id/eprint/19364

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