Information card for entry 2242368

Structure parameters

• Formula: C14 H13 Br N2 O S
• Calculated formula: C14 H13 Br N2 O S
• Title of publication: Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions
• Authors of publication: Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 313 - 318
• a: 9.4479 ± 0.0007 Å
• b: 20.2175 ± 0.0014 Å
• c: 7.2552 ± 0.0005 Å
• α: 90°
• β: 96.9343 ± 0.0013°
• γ: 90°
• Cell volume: 1375.7 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes