Information card for entry 2242161

Structure parameters

• Chemical name: 3-(1<i>H</i>-Benzotriazol-1-yl)-<i>N</i>,<i>N</i>-dimethylpropanamide
• Formula: C11 H14 N4 O
• Calculated formula: C11 H14 N4 O
• Title of publication: Synthesis and crystal structures of three new benzotriazolylpropanamides
• Authors of publication: Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 880 - 885
• a: 7.1732 ± 0.0006 Å
• b: 7.9945 ± 0.0006 Å
• c: 9.5912 ± 0.0007 Å
• α: 83.91 ± 0.006°
• β: 86.247 ± 0.006°
• γ: 81.528 ± 0.006°
• Cell volume: 540.25 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes