Information card for entry 1506947

Structure parameters

• Formula: C10 H10 N2 O2 S
• Calculated formula: C13 H16 N2 O2 S
• SMILES: S(=O)(=O)(c1ncc(cc1)C)N1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1.S(=O)(=O)(c1ncc(cc1)C)N1[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1
• Title of publication: Notable coordination effects of 2-pyridinesulfonamides leading to efficient aziridination and selective aziridine ring opening.
• Authors of publication: Han, Hoon; Bae, Imhyuck; Yoo, Eun Jeong; Lee, Junseong; Do, Youngkyu; Chang, Sukbok
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 4109 - 4112
• a: 6.36 ± 0.013 Å
• b: 7.68 ± 0.03 Å
• c: 14.36 ± 0.04 Å
• α: 89.06 ± 0.13°
• β: 79.77 ± 0.17°
• γ: 73.49 ± 0.13°
• Cell volume: 661 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2914
• Weighted residual factors for all reflections included in the refinement: 0.3048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No