Crystallography Open Database

Information card for entry 2023365

2023364 << 2023365 >> 2023366

Preview

Coordinates	2023365.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-Ethyl-1,3-dihydro-2<i>H</i>-benzo[<i>d</i>]imidazole-2-thione
Formula	C9 H10 N2 S
Calculated formula	C9 H10 N2 S
Title of publication	Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
Authors of publication	Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	7.4512 ± 0.0005 Å
b	14.7799 ± 0.00012 Å
c	15.8912 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	1750.07 ± 0.12 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297520 (current)	2025-01-29	cif/ Adding structures of 2023365 via cif-deposit CGI script.	2023365.cif