Crystallography Open Database

Information card for entry 2020385

2020384 << 2020385 >> 2020386

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Structure parameters

Chemical name	<i>N</i>-(4-Acetylphenyl)-2-chloroacetamide
Formula	C10 H10 Cl N O2
Calculated formula	C10 H10 Cl N O2
SMILES	O=C(C)c1ccc(cc1)NC(=O)CCl
Title of publication	Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate
Authors of publication	Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	94 - 98
a	4.1713 ± 0.0001 Å
b	14.7792 ± 0.0004 Å
c	16.1755 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	997.19 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
181873 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03	2020385.cif 2020385.hkl
177472	2016-03-04	cif/ Updating files of 2020385, 2020386 Original log message: Adding full bibliography for 2020385--2020386.cif.	2020385.cif 2020385.hkl
174432	2016-01-14	cif/ hkl/ Adding structures of 2020385, 2020386 via cif-deposit CGI script.	2020385.cif 2020385.hkl