Information card for entry 2238771

Structure parameters

• Chemical name: (7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate
• Formula: C15 H14 Cl N O2 S2
• Calculated formula: C15 H14 Cl N O2 S2
• Title of publication: (7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate
• Authors of publication: Kotresh, O.; Devarajegowda, H. C.; Shirahatti, Arunkumar; Kumar, K. Mahesh; Mahabhaleshwaraiah, N. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1684 - o1685
• a: 7.9073 ± 0.0002 Å
• b: 9.2891 ± 0.0002 Å
• c: 10.8865 ± 0.0002 Å
• α: 84.474 ± 0.001°
• β: 79.798 ± 0.001°
• γ: 72.437 ± 0.001°
• Cell volume: 749.52 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No