Information card for entry 2022937

Structure parameters

• Chemical name: 10-Hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1<i>H</i>-9-thia-2-azacyclopenta[<i>b</i>]fluorene-4-carboxylic acid dimethyl sulfoxide-<i>d</i>~6~ monosolvate
• Formula: C24 H19 D6 N O6 S2
• Calculated formula: C24 H19 D6 N O6 S2
• Title of publication: Crystal structure and Hirshfeld surface analysis of 10-hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1H-9-thia-2-azacyclopenta[b]fluorene-4-carboxylic acid dimethyl sulfoxide-d 6 monosolvate
• Authors of publication: Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Erokhin, Pavel P.; Grigoriev, Mikhail S.; Atioğlu, Zeliha; Azizova, Asmet N.; Akkurt, Mehmet; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 1127 - 1131
• a: 16.3178 ± 0.0004 Å
• b: 9.2747 ± 0.0002 Å
• c: 14.872 ± 0.0004 Å
• α: 90°
• β: 93.771 ± 0.001°
• γ: 90°
• Cell volume: 2245.9 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes