A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid.

Acta Crystallogr Sect E Struct Rep Online

The Mirzo Ulugbek National University of Uzbekistan, Faculty of Chemistry, University Str. 6, Tashkent 100779, Uzbekistan.

Published: October 2012

A new polymorph of 2-(benzotriazol-2-yl)acetic acid, C(8)H(7)N(3)O(2), crystallizes in the space group C2/c (Z = 8). The non-planar mol-ecule has a synplanar conformation of the carb-oxy group. The crystal structure features helices parallel to the b axis sustained by O-H⋯N hydrogen bonding which are similar to those in the known polymorph [Giordano & Zagari (1978 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 312-315]. However, in the title structure, columns are formed by π-π stacking inter-actions between benzotriazole fragments of centrosymmetrically related adjacent mol-ecules [centroid-centroid distances = 3.593 (10) and 3.381 (10) Å] whereas π-π stacking inter-actions are not observed in the other polymorph. In the crystal of the title compound, C-H⋯O inter-actions are also observed.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470195PMC
http://dx.doi.org/10.1107/S1600536812036768DOI Listing

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