Information card for entry 2020650

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide
• Formula: C14 H13 N3 O3 S
• Calculated formula: C14 H13 N3 O3 S
• Title of publication: Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides
• Authors of publication: Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1677 - 1682
• a: 7.3989 ± 0.0005 Å
• b: 24.491 ± 0.0017 Å
• c: 7.7126 ± 0.0005 Å
• α: 90°
• β: 96.022 ± 0.002°
• γ: 90°
• Cell volume: 1389.86 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0569
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes