Information card for entry 2004594

Structure parameters

• Chemical name: 1-etoxi-1-(5-chlorine,4-nitrous,2-hidroxiphenil)azo,2-aminopropene
• Formula: C12 H13 Cl N4 O5
• Calculated formula: C12 H13 Cl N4 O5
• Title of publication: Ethyl 2-[(<i>E</i>)-5-Chloro-2-hydroxy-4-nitrophenylazo]-3-(<i>E</i>)-amino-2-butenoate
• Authors of publication: Rodrigues, B. L.; do Gambardella, M. T.; de Figueiredo, L. J.; Kascheres, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 705 - 707
• a: 9.238 ± 0.002 Å
• b: 14.388 ± 0.003 Å
• c: 11.763 ± 0.002 Å
• α: 90°
• β: 109.4 ± 0.02°
• γ: 90°
• Cell volume: 1474.7 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1067
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0397
• Goodness-of-fit parameter for all reflections: 1.44
• Goodness-of-fit parameter for significantly intense reflections: 1.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No