Crystallography Open Database

Information card for entry 2240717

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Structure parameters

Chemical name	1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
Formula	C22 H18 N2 O5
Calculated formula	C22 H18 N2 O5
SMILES	O=C1N([C@H]([C@H]1Oc1ccccc1)c1ccc(N(=O)=O)cc1)c1ccc(OC)cc1.O=C1N([C@@H]([C@@H]1Oc1ccccc1)c1ccc(N(=O)=O)cc1)c1ccc(OC)cc1
Title of publication	Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
Authors of publication	Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Shafie, Habib Allah; Çelik, Ömer
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	1
Pages of publication	o12 - o13
a	9.8044 ± 0.0003 Å
b	10.6483 ± 0.0003 Å
c	11.1573 ± 0.0003 Å
α	66.957 ± 0.001°
β	70.105 ± 0.001°
γ	65.973 ± 0.001°
Cell volume	956.06 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181907 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240717.cif 2240717.hkl
136876	2015-05-18	cif/ hkl/ Adding structures of 2240717 via cif-deposit CGI script.	2240717.cif 2240717.hkl