Crystallography Open Database

Information card for entry 7225834

Preview

Coordinates	7225834.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Formula	C25 H22 N2 O4 S2
Calculated formula	C25 H22 N2 O4 S2
Title of publication	Synthesis, antimicrobial, anti-cancer and molecular docking of two novel hitherto unreported thiophenes
Authors of publication	Mabkhot, Yahia N.; Kheder, Nabila Abdelshafy; Barakat, Assem; Choudhary, Muhammad I.; Yousuf, Sammer; Frey, Wolfgang
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	68
Pages of publication	63724
a	7.1651 ± 0.0006 Å
b	16.446 ± 0.0011 Å
c	19.784 ± 0.0014 Å
α	90°
β	100.202 ± 0.004°
γ	90°
Cell volume	2294.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.2145
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184261 (current)	2016-07-06	cif/ Adding structures of 7225833, 7225834 via cif-deposit CGI script.	7225834.cif