Information card for entry 2233578

Structure parameters

• Chemical name: (Morpholin-4-yl)[2-(morpholin-4-yl)-3,5-dinitrophenyl]methanone
• Formula: C15 H18 N4 O7
• Calculated formula: C15 H18 N4 O7
• SMILES: O1CCN(c2c(N(=O)=O)cc(N(=O)=O)cc2C(=O)N2CCOCC2)CC1
• Title of publication: (Morpholin-4-yl)[2-(morpholin-4-yl)-3,5-dinitrophenyl]methanone
• Authors of publication: Gao, Chao; Xiong, Ying; Xia, Yong; Yu, Luo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o376
• a: 10.264 ± 0.0004 Å
• b: 21.5488 ± 0.0007 Å
• c: 8.0061 ± 0.0003 Å
• α: 90°
• β: 108.587 ± 0.004°
• γ: 90°
• Cell volume: 1678.4 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes