Crystallography Open Database

Information card for entry 2023422

2023421 << 2023422 >> 2023423

Preview

Coordinates	2023422.cif
Original IUCr paper	HTML

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
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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
299517 (current)	2025-05-03	cif/ Updating files of 2023422 Original log message: Adding full bibliography for 2023422.cif.	2023422.cif
298401	2025-03-12	cif/ Adding structures of 2023422 via cif-deposit CGI script.	2023422.cif