Crystallography Open Database

Information card for entry 2311627

Preview

Coordinates	2311627.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethyl 1,4-bis(4-chlorophenyl)-2-methyl-1<i>H</i>-pyrrole-3-carboxylate
Formula	C20 H17 Cl2 N O2
Calculated formula	C20 H17 Cl2 N O2
SMILES	Clc1ccc(c2c(C(=O)OCC)c(n(c3ccc(Cl)cc3)c2)C)cc1
Title of publication	Ethyl 1,4-bis-(4-chloro-phen-yl)-2-methyl-1H-pyrrole-3-carboxyl-ate.
Authors of publication	Nandeesh, K. N.; Chandra, ?; Mahendra, M.; Palani, K.; Mantelingu, K.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 8
Pages of publication	o1269
a	8.037 ± 0.002 Å
b	9.797 ± 0.003 Å
c	12.51 ± 0.004 Å
α	72.774 ± 0.016°
β	86.838 ± 0.016°
γ	76.804 ± 0.016°
Cell volume	915.9 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0745
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
246041 (current)	2019-12-26	cif/ Adding structures of 2311627 via cif-deposit CGI script.	2311627.cif