Information card for entry 1503882

Structure parameters

• Chemical name: (E)-benzyl 2-(1-(4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)- ethyl)hydrazinecarboxylate
• Formula: C16 H19 N3 O3 S2
• Calculated formula: C16 H19 N3 O3 S2
• SMILES: S1C(=S)N(C(=O)/C1=C(/C)NNC(=O)OCc1ccccc1)CCC
• Title of publication: An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes.
• Authors of publication: Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2265 - 2268
• a: 12.215 ± 0.002 Å
• b: 8.434 ± 0.002 Å
• c: 34.429 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3546.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No