Information card for entry 2015502

Structure parameters

• Chemical name: 4-(2,4-Dinitrophenylsulfanyl)morpholine
• Formula: C10 H11 N3 O5 S
• Calculated formula: C10 H11 N3 O5 S
• SMILES: S(N1CCOCC1)c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: 4-(2,4-Dinitrophenylsulfanyl)morpholine
• Authors of publication: Brito, Iván; López-Rodríguez, Matías; Cárdenas, Alejandro; Vargas, Danitza
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o461 - o463
• a: 6.428 ± 0.0002 Å
• b: 16.085 ± 0.0007 Å
• c: 12.15 ± 0.0006 Å
• α: 90°
• β: 97.49 ± 0.0016°
• γ: 90°
• Cell volume: 1245.52 ± 0.09 ų
• Cell temperature: 298 ± 2 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 significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes