Information card for entry 2244234

Structure parameters

• Common name: (7<i>R</i>,9<i>R</i>)-<i>N</i>-[(3-nitrophenyl)sulfonyl]cytisine
• Chemical name: (1<i>R</i>,5<i>R</i>)-3-((3-nitrophenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one
• Formula: C17 H17 N3 O5 S
• Calculated formula: C17 H17 N3 O5 S
• Title of publication: Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine.
• Authors of publication: Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 313 - 318
• a: 11.04 ± 0.002 Å
• b: 6.2621 ± 0.0013 Å
• c: 12.424 ± 0.003 Å
• α: 90°
• β: 94.03 ± 0.03°
• γ: 90°
• Cell volume: 856.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes