Crystallography Open Database

Information card for entry 2311250

Preview

Coordinates	2311250.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-(2,4-Dichlorophenoxy)-1-(4-methoxybenzyl)-4-(4-nitrophenyl)azetidin-2-one
Formula	C23 H18 Cl2 N2 O5
Calculated formula	C23 H18 Cl2 N2 O5
SMILES	Clc1ccc(O[C@@H]2C(=O)N([C@@H]2c2ccc(N(=O)=O)cc2)Cc2ccc(OC)cc2)c(Cl)c1.Clc1ccc(O[C@H]2C(=O)N([C@H]2c2ccc(N(=O)=O)cc2)Cc2ccc(OC)cc2)c(Cl)c1
Title of publication	3-(2,4-Di-chloro-phen-oxy)-1-(4-meth-oxy-benz-yl)-4-(4-nitro-phen-yl)azetidin-2-one.
Authors of publication	Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2014
Journal volume	70
Journal issue	Pt 8
Pages of publication	o835 - 6
a	5.0716 ± 0.0005 Å
b	20.939 ± 0.0012 Å
c	20.1516 ± 0.0018 Å
α	90°
β	96.457 ± 0.007°
γ	90°
Cell volume	2126.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1166
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	0.847
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
245723 (current)	2019-12-25	cif/ Adding structures of 2311250 via cif-deposit CGI script.	2311250.cif