Crystallography Open Database

Information card for entry 2023553

2023552 << 2023553 >> 2023554

Preview

Coordinates	2023553.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-[5-(4-Chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3-(4-methylphenyl)-1-(thiophen-2-yl)propan-1-one
Formula	C22 H17 Cl N2 O2 S2
Calculated formula	C22 H17 Cl N2 O2 S2
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 3-[5-(4-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3-(4-methylphenyl)-1-(thiophen-2-yl)propan-1-one
Authors of publication	Jain, Shailakshi; Kumar, Sharatha; Hökelek, Tuncer
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	10
a	20.7798 ± 0.0003 Å
b	13.1963 ± 0.0004 Å
c	16.1047 ± 0.0004 Å
α	90°
β	102.44 ± 0.003°
γ	90°
Cell volume	4312.49 ± 0.19 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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