Information card for entry 2208490

Structure parameters

• Chemical name: 4-Dimethylaminobenzoic(4-chloro-2-phenyl-2H-chromen-3-ylmethylene)hydrazide
• Formula: C27 H28 Cl N3 O3
• Calculated formula: C27 H28 Cl N3 O3
• SMILES: c1cccc2c1C(=C(C=NNC(=O)c1ccc(cc1)N(C)C)C(c1ccccc1)O2)Cl.CCO
• Title of publication: <i>N</i>-(4-Chloro-2-phenyl-2<i>H</i>-chromen-3-ylmethylene)-<i>N</i>'-[4-(dimethylamino)benzoyl]hydrazide ethanol solvate
• Authors of publication: Nie, Aihua; Ghosh, Sutapa; Huang, Ziwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1641 - o1642
• a: 9.71 ± 0.002 Å
• b: 10.668 ± 0.002 Å
• c: 12.002 ± 0.003 Å
• α: 78.409 ± 0.003°
• β: 88.988 ± 0.003°
• γ: 78.532 ± 0.003°
• Cell volume: 1193.3 ± 0.4 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No