Information card for entry 2234614

Structure parameters

• Chemical name: 1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1- yl]ethanone
• Formula: C24 H19 N3 O
• Calculated formula: C24 H19 N3 O
• SMILES: O=C(N1N=C(c2c3ccccc3cc3ccccc23)CC1c1ncccc1)C
• Title of publication: 1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone
• Authors of publication: Zhang, Shi-Lu; Huang, Kun; Qin, Da-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1370
• a: 10.1768 ± 0.0008 Å
• b: 23.6035 ± 0.0018 Å
• c: 7.9994 ± 0.0007 Å
• α: 90°
• β: 109.134 ± 0.003°
• γ: 90°
• Cell volume: 1815.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes