Crystallography Open Database

Information card for entry 7242057

7242056 << 7242057 >> 7242058

Preview

Coordinates	7242057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 Br2 Cl N4 O3 S
Calculated formula	C24 H25 Br2 Cl N4 O3 S
SMILES	[Br-].Brc1ccc(C2(O)N(c3c(ccc(Cl)c3)C)/C(=N/c3[nH]c4c([nH+]3)cccc4)SC2)cc1.O.OC
Title of publication	Solid-phase reactive chromatography (SPRC): a sustainable method for the synthesis of benzimidazol-diphenyl-2-imino-thiazolidine-4-ols (hemiaminals) which are active against lung cancer
Authors of publication	Bangade, V. M.; Mali, P. R.; Meshram, H. M.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	4
Pages of publication	2320 - 2324
a	7.9404 ± 0.0008 Å
b	11.6089 ± 0.0014 Å
c	15.724 ± 0.0018 Å
α	71.877 ± 0.01°
β	79.537 ± 0.009°
γ	78.741 ± 0.01°
Cell volume	1339.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.2408
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7242057.cif
260880	2021-01-09	cif/ Adding structures of 7242057 via cif-deposit CGI script.	7242057.cif