Information card for entry 2239533

Structure parameters

• Chemical name: Octyl (2<i>E</i>)-2-[2-(diphenylphosphanyl)benzylidene] hydrazinecarbodithioate
• Formula: C28 H33 N2 P S2
• Calculated formula: C28 H33 N2 P S2
• SMILES: CCCCCCCCSC(=S)N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
• Title of publication: Octyl (2<i>E</i>)-2-[2-(diphenylphosphanyl)benzylidene]hydrazinecarbodithioate
• Authors of publication: Asri, Izuddin; Hamid, Malai Haniti S. A.; Mirza, Aminul Huq; Ali, Mohammad Akbar; Karim, Mohammad Rezaul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o633 - o634
• a: 11.2068 ± 0.0012 Å
• b: 11.4956 ± 0.0012 Å
• c: 11.7728 ± 0.0013 Å
• α: 86.623 ± 0.001°
• β: 70.538 ± 0.001°
• γ: 65.013 ± 0.001°
• Cell volume: 1290.2 ± 0.2 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: 0.0458
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes