Information card for entry 2219010

Structure parameters

• Common name: 4-(4-[(<i>Z</i>,<i>Z</i>)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-\ 1<i>H</i>-pyrazol-4-yl)iminomethyl]benzylideneamino)-1,5-dimethyl-\ 2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Chemical name: 1,1',5,5'-Tetramethyl-2,2'-diphenyl-4,4'-[p- phenylenebis(methylidynenitrilo)]di-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Formula: C30 H28 N6 O2
• Calculated formula: C30 H28 N6 O2
• SMILES: CC1=C(/N=C/c2ccc(cc2)/C=N/C2=C(C)N(N(C2=O)c2ccccc2)C)C(=O)N(N1C)c1ccccc1
• Title of publication: 1,1',5,5'-Tetramethyl-2,2'-diphenyl-4,4'-[<i>p</i>-phenylenebis(methylidynenitrilo)]di-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Xiao, Yan; Bi, Cai Feng; Wang, Ai Dong; Fan, Yu Hua; Zhang, Xia; Xu, Jia Kun; Xie, Si Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1479
• a: 6.071 ± 0.0002 Å
• b: 22.2948 ± 0.0007 Å
• c: 9.8712 ± 0.0003 Å
• α: 90°
• β: 95.147 ± 0.002°
• γ: 90°
• Cell volume: 1330.7 ± 0.07 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes