Information card for entry 2236999

Structure parameters

• Chemical name: Morpholine‒4-nitrophenol (1/2)
• Formula: C16 H19 N3 O7
• Calculated formula: C16 H19 N3 O7
• SMILES: c1(ccc(cc1)O)N(=O)=O.c1(ccc(cc1)O)N(=O)=O.C1COCCN1
• Title of publication: Morpholine‒4-nitrophenol (1/2)
• Authors of publication: Muralidharan, Srinivasan; Vidyalakshmi, Yechuri; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3411
• a: 18.0381 ± 0.0007 Å
• b: 5.5673 ± 0.0002 Å
• c: 17.491 ± 0.0007 Å
• α: 90°
• β: 91.606 ± 0.003°
• γ: 90°
• Cell volume: 1755.82 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0746
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes