Crystallography Open Database

Information card for entry 2204500

2204499 << 2204500 >> 2204501

Preview

Structure parameters

Chemical name	Methyl 2-{[3-(4-methylsulfanyl)phenyl-1,2,4-oxadiazol- 5-yl]methoxy}phenylacetate
Formula	C19 H18 N2 O4 S
Calculated formula	C19 H18 N2 O4 S
SMILES	S(C)c1ccc(cc1)c1nc(on1)COc1ccccc1CC(=O)OC
Title of publication	Methyl 2-{[3-(4-methylsulfanyl)phenyl-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
Authors of publication	Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2122 - o2124
a	8.358 ± 0.0017 Å
b	10.522 ± 0.002 Å
c	10.581 ± 0.002 Å
α	90.13 ± 0.03°
β	102.08 ± 0.03°
γ	99.73 ± 0.03°
Cell volume	896.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0554
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.