Information card for entry 2240394

Structure parameters

• Common name: Crotonaldehyde thiosemicarbazone
• Chemical name: (<i>E</i>)-2-[(<i>E</i>)-But-2-en-1-yldene]hydrazinecarbothioamide
• Formula: C5 H9 N3 S
• Calculated formula: C5 H9 N3 S
• SMILES: C/C=C/C=N/NC(=S)N
• Title of publication: Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data
• Authors of publication: Arfan, Atef; Rukiah, Mwaffak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 168 - 172
• a: 5.8665 ± 0.00017 Å
• b: 8.0313 ± 0.0002 Å
• c: 9.0795 ± 0.0004 Å
• α: 104.141 ± 0.0018°
• β: 101.04 ± 0.0019°
• γ: 106.351 ± 0.0017°
• Cell volume: 382.16 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.29
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No