Information card for entry 2229109

Structure parameters

• Chemical name: 4-Chlorobenzaldehyde (1-isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-yl)hydrazone monohydrate
• Formula: C21 H22 Cl N5 O
• Calculated formula: C21 H22 Cl N5 O
• SMILES: CC(Cn1cnc2c1c1ccccc1nc2N/N=C/c1ccc(cc1)Cl)C.O
• Title of publication: 4-Chlorobenzaldehyde (1-isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-yl)hydrazone monohydrate
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Kayarmar, Reshma; Viveka, S.; Nagaraja, G. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o407 - o408
• a: 10.4117 ± 0.0003 Å
• b: 18.2365 ± 0.0006 Å
• c: 11.9019 ± 0.0003 Å
• α: 90°
• β: 117.809 ± 0.002°
• γ: 90°
• Cell volume: 1998.85 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes