Crystallography Open Database

Information card for entry 2220317

2220316 << 2220317 >> 2220318

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Structure parameters

Chemical name	Methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Formula	C15 H13 Cl2 N O2
Calculated formula	C15 H13 Cl2 N O2
SMILES	c1(cccc(c1Nc1ccccc1CC(=O)OC)Cl)Cl
Title of publication	Methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Authors of publication	Saleem, Rashid; Shabir, Ghulam; Hanif, Muhammad; Qadeer, Ghulam; Wong, Wai-Yeung
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	12
Pages of publication	o2400
a	4.9319 ± 0.0004 Å
b	20.0288 ± 0.0014 Å
c	14.5542 ± 0.001 Å
α	90°
β	97.711 ± 0.001°
γ	90°
Cell volume	1424.66 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0622
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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