Crystallography Open Database

Information card for entry 2023508

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Coordinates	2023508.cif
Original IUCr paper	HTML

Structure parameters

Common name	Prpsb, 1,10-bis(2'-pyridylhydrazono)-3,8-dithia-1,10-diphenyldecane
Chemical name	2-[(2<i>E</i>,12<i>E</i>)-3,12-Diphenyl-14-(pyridin-2-yl)-5,10-dithia-1,2,13,14-tetraazatetradeca-2,12-dien-1-yl]pyridine
Formula	C30 H32 N6 S2
Calculated formula	C30 H32 N6 S2
Title of publication	Some thioether-ketones and their related derivatives
Authors of publication	O'Connor, Molly A.; Pavlishchuk, Anna V.; Butcher, Raymond J.; Pavlishchuk, Vitaly V.; Addison, Anthony W.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	6
a	5.3442 ± 0.0004 Å
b	24.9746 ± 0.0018 Å
c	10.3552 ± 0.0007 Å
α	90°
β	99.789 ± 0.003°
γ	90°
Cell volume	1361.98 ± 0.17 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	4
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	0.0745
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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