Information card for entry 2225324

Structure parameters

• Chemical name: 7-Chloro-4-[(<i>E</i>)-2-(4-methoxybenzylidene)hydrazin-1-yl]quinoline monohydrate
• Formula: C17 H16 Cl N3 O2
• Calculated formula: C17 H16 Cl N3 O2
• SMILES: Clc1ccc2c(N/N=C/c3ccc(OC)cc3)ccnc2c1.O
• Title of publication: 7-Chloro-4-[(<i>E</i>)-2-(4-methoxybenzylidene)hydrazin-1-yl]quinoline monohydrate
• Authors of publication: de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o696 - o697
• a: 7.0086 ± 0.0006 Å
• b: 9.2384 ± 0.0008 Å
• c: 13.3701 ± 0.0012 Å
• α: 100.026 ± 0.004°
• β: 103.903 ± 0.005°
• γ: 107 ± 0.005°
• Cell volume: 775.27 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes