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(1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl-propano-ate.

ABSTRACT: 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 ?-? stacking inter-actions are observed between inversion-related benzene rings [centroid-centroid distance = 3.9040?(1)?Å].

SUBMITTER: Xu S

PROVIDER: S-EPMC3344024 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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(1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl-propano-ate.

Xu Sen S Shen Yingzhong Y

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]

PMID: 22589933

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