Crystallography Open Database

Information card for entry 7058097

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Coordinates	7058097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N3 O2 S
Calculated formula	C10 H11 N3 O2 S
Title of publication	Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures
Authors of publication	Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	6
Pages of publication	2740
a	9.7216 ± 0.0003 Å
b	10.6601 ± 0.0003 Å
c	22.1772 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2298.29 ± 0.11 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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