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

ABSTRACT: 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.

SUBMITTER: Alieva G 

PROVIDER: S-EPMC3470195 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature