Information card for entry 2228381

Structure parameters

• Common name: 2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-4-yl)amino]-1-methyl-2-oxoethyl pyrrolidine-1-carbodithioate
• Chemical name: <i>N</i>-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-\ 2-[(pyrrolidin-1-yl)carbothioylsulfanyl]propanamide
• Formula: C19 H24 N4 O2 S2
• Calculated formula: C19 H24 N4 O2 S2
• Title of publication: 2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl pyrrolidine-1-carbodithioate
• Authors of publication: Akkurt, Mehmet; Güzeldemirci, Nuray Ulusoy; Cesur, Nesrin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3134 - o3135
• a: 12.0652 ± 0.0005 Å
• b: 16.0831 ± 0.0006 Å
• c: 11.0438 ± 0.0004 Å
• α: 90°
• β: 101.899 ± 0.003°
• γ: 90°
• Cell volume: 2096.96 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0483
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes