Ontology highlight
ABSTRACT:
SUBMITTER: Xu S
PROVIDER: S-EPMC3344024 | biostudies-literature | 2012 Apr
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20120314 Pt 4
In the title compound, C(12)H(15)N(3)O(2), the dihedral angle between the mean planes of the benzene and triazole rings is 0.331 (53) °. The side chain of the pivalate unit forms a dihedral angle of 69.04 (12)° with the benzotriazole unit. The ester group and two methyl groups of the pivalate unit are disordered with an occupancy ratio of 0.731 (3):0.269 (3). In the crystal, weak π-π stacking inter-actions are observed between inversion-related benzene rings [centroid-centroid distance = 3.9040 ...[more]