Crystallography Open Database

Information card for entry 1573531

Preview

Coordinates	1573531.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate
Formula	C17 H22 N2 O5
Calculated formula	C17 H22 N2 O5
Title of publication	Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Authors of publication	Abdul Rashid, Fatin Nur Ain; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Bakhtiar Afendy, Ayisy Amirul Afti; Cordes, David B.; McKay, Aidan P.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	12
a	10.17216 ± 0.00008 Å
b	9.2432 ± 0.00006 Å
c	17.64603 ± 0.00014 Å
α	90°
β	101.511 ± 0.0008°
γ	90°
Cell volume	1625.77 ± 0.02 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296961 (current)	2024-12-24	cif/ Adding structures of 1573531 via cif-deposit CGI script.	1573531.cif