Information card for entry 7154663

Structure parameters

• Chemical name: (E)-N-(2-(phenylsulfonyl)ethylidene)morpholin-4-amine
• Formula: C12 H16 N2 O3 S
• Calculated formula: C12 H16 N2 O3 S
• SMILES: S(=O)(=O)(c1ccccc1)C/C=N/N1CCOCC1
• Title of publication: A four-component reaction of aryldiazonium tetrafluoroborates, sulfur dioxide, 1,2-dibromoethane, and hydrazines.
• Authors of publication: Zheng, Danqing; Kuang, Yunyan; Wu, Jie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 10370 - 10375
• a: 9.999 ± 0.003 Å
• b: 16.21 ± 0.005 Å
• c: 16.317 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2644.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No