Information card for entry 2008311

Structure parameters

• Chemical name: 1-chloro-2,4-dimorpholino-5-nitrobenzene
• Formula: C14 H18 Cl N3 O4
• Calculated formula: C14 H18 Cl N3 O4
• SMILES: Clc1cc(N(=O)=O)c(N2CCOCC2)cc1N1CCOCC1
• Title of publication: 1-Chloro-2,4-dimorpholino-5-nitrobenzene
• Authors of publication: Zucco, César; Neves, Ademir; Vencato, Ivo; Szpoganicz, Bruno; Bertoldi, Fabiano C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 654 - 656
• a: 22.997 ± 0.005 Å
• b: 8.069 ± 0.002 Å
• c: 20.001 ± 0.004 Å
• α: 90°
• β: 125 ± 0.03°
• γ: 90°
• Cell volume: 3040.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No