Information card for entry 2311465

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3-Cyanobenzylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide
• Formula: C15 H13 N3 O S
• Calculated formula: C15 H13 N3 O S
• SMILES: c1(cccc(c1)C#N)/C=N/N(C)C(=O)Cc1cccs1
• Title of publication: Crystal structures and Hirshfeld surfaces of differently substituted (<i>E</i>)-<i>N</i>'-benzyl-idene-<i>N</i>-methyl-2-(thio-phen-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.; Harrison, William T. A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1636 - 1641
• a: 9.3594 ± 0.0007 Å
• b: 10.1143 ± 0.0007 Å
• c: 15.807 ± 0.0012 Å
• α: 106.704 ± 0.005°
• β: 92.432 ± 0.007°
• γ: 106.777 ± 0.005°
• Cell volume: 1359.31 ± 0.18 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: 0.0477
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No