Information card for entry 7235973

Structure parameters

• Formula: C19 H11 Cl2 N3 O2 S
• Calculated formula: C19 H11 Cl2 N3 O2 S
• Title of publication: Design, synthesis, anticonvulsant and analgesic studies of new pyrazole analogues: a Knoevenagel reaction approach
• Authors of publication: Viveka, Shivapura; Dinesha, Dinesha; Shama, Prasanna; Naveen, Shivalingegowda; Lokanath, Neratur Krishnappagowda; Nagaraja, Gundibasappa Karikannar
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 115
• Pages of publication: 94786
• a: 8.5087 ± 0.0008 Å
• b: 10.5551 ± 0.001 Å
• c: 10.9292 ± 0.0011 Å
• α: 101.832 ± 0.005°
• β: 90.563 ± 0.005°
• γ: 111.879 ± 0.005°
• Cell volume: 887.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No