Information card for entry 2239722

Structure parameters

• Chemical name: Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate
• Formula: C18 H20 N4 O4 S
• Calculated formula: C18 H20 N4 O4 S
• Title of publication: Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate
• Authors of publication: Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o795 - o796
• a: 28.018 ± 0.005 Å
• b: 9.196 ± 0.005 Å
• c: 15.396 ± 0.005 Å
• α: 90°
• β: 93.376 ± 0.005°
• γ: 90°
• Cell volume: 3960 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes