Information card for entry 2023422

Structure parameters

• Chemical name: 5-{(<i>E</i>)-[(1<i>H</i>-Indol-3-ylformamido)imino]methyl}-2-methoxyphenyl propane-1-sulfonate
• Formula: C20 H21 N3 O5 S
• Calculated formula: C20 H21 N3 O5 S
• SMILES: c12ccccc1c(c[nH]2)C(=O)N/N=C/c1cc(c(cc1)OC)OS(=O)(=O)CCC
• Title of publication: Synthesis and crystal structure of 5-{(<i>E</i>)-[(1<i>H</i>-indol-3-ylformamido)-imino]-meth-yl}-2-meth-oxy-phenyl propane-1-sulfonate.
• Authors of publication: Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Al-Ashmawy, Aisha A K; Srour, Aladdin M.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 4
• Pages of publication: 310 - 313
• a: 9.2969 ± 0.0005 Å
• b: 14.0662 ± 0.0007 Å
• c: 15.1168 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.85 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No