Information card for entry 1564549

Structure parameters

• Chemical name: (<i>E</i>)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate
• Formula: C19 H23 N3 O S2
• Calculated formula: C19 H23 N3 O S2
• SMILES: S=C(SCc1ccccc1)N/N=C/c1ccc(N(CCO)CC)cc1
• Title of publication: (E)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate
• Authors of publication: Guo, Hui; Du, Wenli; Zhou, Haoyu
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 9
• a: 9.1794 ± 0.0018 Å
• b: 9.4642 ± 0.0019 Å
• c: 11.665 ± 0.002 Å
• α: 101.78 ± 0.03°
• β: 107.81 ± 0.03°
• γ: 93.57 ± 0.03°
• Cell volume: 936 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0564
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes