Crystallography Open Database

Information card for entry 1574766

Preview

Coordinates	1574766.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(3<i>Z</i>)-4-Methyl-9-(4-methylbenzenesulfonyl)-<i>N</i>-phenyl-3<i>H</i>,9<i>H</i>-thiopyrano[3,4-<i>b</i>]indol-3-imine
Formula	C25 H20 N2 O2 S2
Calculated formula	C25 H20 N2 O2 S2
Title of publication	(3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine
Authors of publication	Dassonneville, Benjamin; Detert, Heiner; Schollmeyer, Dieter
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	5
Pages of publication	x250475
a	9.1997 ± 0.0006 Å
b	15.1692 ± 0.0008 Å
c	16.7138 ± 0.0009 Å
α	110.129 ± 0.0013°
β	100.749 ± 0.0016°
γ	94.2372 ± 0.0015°
Cell volume	2127.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574766.cif
299890	2025-05-31	cif/ Adding structures of 1574766 via cif-deposit CGI script.	1574766.cif