Crystallography Open Database

Information card for entry 2020386

2020385 << 2020386 >> 2020387

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Structure parameters

Chemical name	2-(4-Acetylanilino)-2-oxoethyl cinnamate
Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
SMILES	O=C(c1ccc(cc1)NC(=O)COC(=O)/C=C/c1ccccc1)C
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	9.7969 ± 0.0015 Å
b	17.594 ± 0.003 Å
c	9.6425 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1662 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1528
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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	2020386.cif 2020386.hkl
177472	2016-03-04	cif/ Updating files of 2020385, 2020386 Original log message: Adding full bibliography for 2020385--2020386.cif.	2020386.cif 2020386.hkl
174432	2016-01-14	cif/ hkl/ Adding structures of 2020385, 2020386 via cif-deposit CGI script.	2020386.cif 2020386.hkl