Crystallography Open Database

Information card for entry 7064380

Preview

Coordinates	7064380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Cl O3 S2
Calculated formula	C15 H11 Cl O3 S2
Title of publication	Reactivity study of 4-hydroxydithiocoumarin/4-hydroxythiocoumarin with vinyl ether/cyclic vinyl ether: synthesis of fused novel thiophene derivatives using CuO nanoparticles
Authors of publication	Kumar, Devendra; Ali, Ahmad; Sood, Mehak; Bharatam, Prasad V.; Khan, Abu Taleb
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	17
Pages of publication	7438 - 7447
a	17.1285 ± 0.0014 Å
b	4.0509 ± 0.0003 Å
c	22.319 ± 0.0018 Å
α	90°
β	106.564 ± 0.002°
γ	90°
Cell volume	1484.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
306456 (current)	2026-06-05	cif/ Updating files of 7064380, 7064381 Original log message: Adding full bibliography for 7064380--7064381.cif.	7064380.cif
305582	2026-04-18	cif/ Adding structures of 7064380, 7064381 via cif-deposit CGI script.	7064380.cif