Information card for entry 2020652

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(4-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: 6.1893 ± 0.0004 Å
• b: 12.9177 ± 0.0009 Å
• c: 17.3828 ± 0.0012 Å
• α: 93.995 ± 0.007°
• β: 90.386 ± 0.006°
• γ: 95.963 ± 0.007°
• Cell volume: 1378.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes