Crystallography Open Database

Information card for entry 7226559

Preview

Structure parameters

Formula	C24 H23 N3 S
Calculated formula	C24 H23 N3 S
SMILES	S1\C(=N/C2CCCCC2)\C(=N/c2ccc(C)cc2)c2c1nc1c(c2)cccc1
Title of publication	The Synthesis of Iminothiophenone-Fused Quinolines and Evaluation of Their Serendipitous Reactions
Authors of publication	Shiri, Morteza; Faghihi, Zeinab; Oskouei, Hossein A.; Heravi, Majid M.; Fazelzadeh, Shima; Notash, Behrouz
Journal of publication	RSC Adv.
Year of publication	2016
a	9.2893 ± 0.0019 Å
b	9.6941 ± 0.0019 Å
c	13.155 ± 0.003 Å
α	69 ± 0.03°
β	74.34 ± 0.03°
γ	73.14 ± 0.03°
Cell volume	1040 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2252
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	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226559.cif
186579	2016-09-15	cif/ Adding structures of 7226559 via cif-deposit CGI script.	7226559.cif