Crystallography Open Database

Information card for entry 2023076

2023075 << 2023076 >> 2023077

Preview

Coordinates	2023076.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Bromo-2-{<i>N</i>-[2-(piperidine-1-sulfonyl)phenyl]carboximidoyl}phenol
Formula	C18 H19 Br N2 O3 S
Calculated formula	C18 H19 Br N2 O3 S
Title of publication	Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer.
Authors of publication	Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	129 - 142
a	12.407 ± 0.0009 Å
b	17.425 ± 0.0014 Å
c	17.5276 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3789.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.097
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
291714 (current)	2024-05-06	cif/ Updating files of 2023076 Original log message: Adding full bibliography for 2023076.cif.	2023076.cif
290710	2024-03-29	cif/ Adding structures of 2023076 via cif-deposit CGI script.	2023076.cif