Information card for entry 2239308

Structure parameters

• Chemical name: Methyl 1-[(<i>Z</i>)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate
• Formula: C19 H17 Cl N2 O5
• Calculated formula: C19 H17 Cl N2 O5
• SMILES: Clc1ccc2c(c1)CC(O)(/C2=N\NC(=O)OCc1ccccc1)C(=O)OC
• Title of publication: Methyl 1-[(<i>Z</i>)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate
• Authors of publication: Dong, Kun; Wang, Yifeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o527
• a: 8.362 ± 0.003 Å
• b: 10.627 ± 0.003 Å
• c: 11.47 ± 0.004 Å
• α: 108.575 ± 0.006°
• β: 99.377 ± 0.007°
• γ: 100.886 ± 0.006°
• Cell volume: 921.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes