Crystallography Open Database

Information card for entry 2243416

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Structure parameters

Chemical name	4-(Naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine
Formula	C23 H20 N2 O S
Calculated formula	C23 H20 N2 O S
SMILES	s1c(nc(c2cc3c(cc2)cccc3)c1)/N=C/c1ccc(OCCC)cc1
Title of publication	Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-<i>N</i>-[(<i>Z</i>)-4-propoxybenzylidene]-1,3-thiazol-2-amine
Authors of publication	Sheakh Mohamad, Ropak A.; Hamad, Wali M.; Aziz, Hashim J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	6
Pages of publication	920 - 923
a	19.1636 ± 0.0011 Å
b	6.0482 ± 0.0003 Å
c	17.023 ± 0.001 Å
α	90°
β	104.37 ± 0.005°
γ	90°
Cell volume	1911.33 ± 0.19 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
252484 (current)	2020-05-30	cif/ hkl/ Adding structures of 2243416 via cif-deposit CGI script.	2243416.cif 2243416.hkl