Information card for entry 8101968

Structure parameters

• Chemical name: 4-methyl-N-(4,5-diazafluorenylidene)benzenamine monohydrate
• Formula: C18 H15 N3 O
• Calculated formula: C18 H15 N3 O
• SMILES: Cc1ccc(cc1)N=C1c2cccnc2c2c1cccn2.O
• Title of publication: Crystal structure of 4-methyl-N-(4,5-diazafluorenylidene)benzenamine monohydrate, C~18~H~13~N~3~ · H~2~O
• Authors of publication: Wang, C.-X.; Wang, P.; Li, Z.-F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 211 - 212
• a: 7.6239 ± 0.0015 Å
• b: 8.6259 ± 0.0017 Å
• c: 11.086 ± 0.002 Å
• α: 77.68 ± 0.03°
• β: 86.66 ± 0.03°
• γ: 86.49 ± 0.03°
• Cell volume: 710.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No