Information card for entry 2235927

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-Ethyl-2-[(<i>E</i>)-3-(hydroxyimino)butan-2- ylidene]hydrazinecarbothioamide
• Formula: C7 H14 N4 O S
• Calculated formula: C7 H14 N4 O S
• SMILES: S=C(N/N=C(/C(=N/O)C)C)NCC
• Title of publication: (<i>E</i>)-<i>N</i>-Ethyl-2-[(<i>E</i>)-3-(hydroxyimino)butan-2-ylidene]hydrazinecarbothioamide
• Authors of publication: Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2552
• a: 5.7065 ± 0.0002 Å
• b: 9.0632 ± 0.0003 Å
• c: 10.7109 ± 0.0004 Å
• α: 71.309 ± 0.001°
• β: 76.318 ± 0.001°
• γ: 86.42 ± 0.001°
• Cell volume: 509.8 ± 0.03 ų
• Cell temperature: 100 ± 1 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: 0.0361
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes