Information card for entry 1553463

Structure parameters

• Formula: C17 H25 Cl2 N3 O4 S
• Calculated formula: C17 H25 Cl2 N3 O4 S
• SMILES: S(=O)(=O)(NN1CCOCC1)CC1(C(=O)N(c2c1cc(cc2)C)C)C.C(Cl)Cl
• Title of publication: Generation of (2-oxoindolin-3-yl)methanesulfonohydrazides via a photo-induced reaction of N-(2-iodoaryl)acrylamide, DABSO, and hydrazine
• Authors of publication: Zhou, Kaida; Xia, Hongguang; Wu, Jie
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 865
• a: 10.82 ± 0.006 Å
• b: 10.975 ± 0.006 Å
• c: 11.163 ± 0.006 Å
• α: 74.634 ± 0.005°
• β: 62.808 ± 0.005°
• γ: 65.132 ± 0.005°
• Cell volume: 1065.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No