Information card for entry 2311570

Structure parameters

• Chemical name: 1-(2,4-Dichlorobenzyl)-5-methyl-<i>N</i>-(thiophene-2-sulfonyl)-1<i>H</i>-pyrazole-3-carboxamide
• Formula: C16 H13 Cl2 N3 O3 S2
• Calculated formula: C16 H13 Cl2 N3 O3 S2
• Title of publication: Crystal structure and Hirshfeld surface analysis of 1-(2,4-di-chloro-benz-yl)-5-methyl-<i>N</i>-(thio-phene-2-sulfon-yl)-1<i>H</i>-pyrazole-3-carboxamide.
• Authors of publication: Aydin, Abdullah; Akkurt, Mehmet; Gur, Zehra Tugce; Banoğlu, Erden
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 5
• Pages of publication: 747 - 751
• a: 8.2706 ± 0.0004 Å
• b: 8.7726 ± 0.0004 Å
• c: 13.6433 ± 0.0007 Å
• α: 76.091 ± 0.002°
• β: 74.61 ± 0.002°
• γ: 87.97 ± 0.002°
• Cell volume: 925.98 ± 0.08 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: 0.061
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No