Information card for entry 2232381

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-{7-Methoxyspiro[chromeno[4,3-<i>d</i>]thiazole- 4,1'-cyclohexan]-2-yl}-<i>N</i>,<i>N</i>-dimethylacetimidamide
• Formula: C20 H25 N3 O2 S
• Calculated formula: C20 H25 N3 O2 S
• SMILES: n1c(sc2C3(Oc4cc(ccc4c12)OC)CCCCC3)/N=C(\C)N(C)C
• Title of publication: (<i>E</i>)-<i>N</i>'-{7-Methoxyspiro[chromeno[4,3-<i>d</i>]thiazole-4,1'-cyclohexan]-2-yl}-<i>N</i>,<i>N</i>-dimethylacetimidamide
• Authors of publication: Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Vyas, Poorvesh M.; Joshi, Mihir J.; Menpara, Kalpesh M.; Ladva, Kartik D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2855 - o2856
• a: 9.251 ± 0.0002 Å
• b: 20.0273 ± 0.0004 Å
• c: 10.7301 ± 0.0002 Å
• α: 90°
• β: 90.84 ± 0.002°
• γ: 90°
• Cell volume: 1987.78 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes