Information card for entry 2011287

Structure parameters

• Chemical name: 4,5-Diaza-9-fluorenone Benzoylhydrazone Monohydrate
• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: n1cccc2C(=NNC(=O)c3ccccc3)c3cccnc3c12.O
• Title of publication: 4,5-Diazafluoren-9-one benzoylhydrazone monohydrate
• Authors of publication: Lu, Zhong-Lin; Xiao, Wen; Chen, Zhong-Ning; Gong, Xiao-Yang; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1017 - 1018
• a: 8.488 ± 0.0002 Å
• b: 22.7523 ± 0.0002 Å
• c: 8.781 ± 0.0002 Å
• α: 90°
• β: 114.929 ± 0.001°
• γ: 90°
• Cell volume: 1537.8 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes