Information card for entry 2219237

Structure parameters

• Chemical name: <i>N</i>-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)phthalimide
• Formula: C15 H10 N4 O2
• Calculated formula: C15 H10 N4 O2
• SMILES: O=C1N(Cn2nnc3ccccc23)C(=O)c2c1cccc2
• Title of publication: <i>N</i>-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)phthalimide
• Authors of publication: Wang, Su-Qing; Jian, Fang-Fang; Liu, Huan-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1782
• a: 6.9481 ± 0.0011 Å
• b: 8.0041 ± 0.0013 Å
• c: 12.03 ± 0.002 Å
• α: 85.715 ± 0.003°
• β: 81.283 ± 0.003°
• γ: 73.398 ± 0.003°
• Cell volume: 633.38 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes