Crystallography Open Database

Information card for entry 2311308

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Structure parameters

Chemical name	Methyl (2<i>Z</i>)-2-[(2<i>Z</i>)-2-(2-cyclopentylidenehydrazin-1-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate
Formula	C17 H17 N3 O3 S
Calculated formula	C17 H17 N3 O3 S
Title of publication	Crystal structure of methyl (2Z)-2-[(2Z)-2-(2-cyclo-pentyl-idenehydrazin-1-yl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene]ethano-ate.
Authors of publication	Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hassan, Alaa A.; Albayati, Mustafa R.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2015
Journal volume	71
Journal issue	Pt 10
Pages of publication	o776 - 7
a	5.5215 ± 0.0003 Å
b	16.1299 ± 0.0008 Å
c	18.7112 ± 0.0009 Å
α	90°
β	93.98 ± 0.005°
γ	90°
Cell volume	1662.42 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.077
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311308.cif
245781	2019-12-25	cif/ Adding structures of 2311308 via cif-deposit CGI script.	2311308.cif