Crystallography Open Database

Information card for entry 7246499

Preview

Coordinates	7246499.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-[1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl]-4-chlorophenol
Formula	C28 H21 Cl N2 O2
Calculated formula	C28 H21 Cl N2 O2
SMILES	Clc1ccc(O)c(c2n(c(c(n2)c2ccccc2)c2ccccc2)c2ccc(OC)cc2)c1
Title of publication	Synthesis, antioxidant activity, antimicrobial efficacy and molecular docking studies of 4-chloro-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol and its transition metal complexes
Authors of publication	Ahmad, Muhammad Saeed; Siddique, Abu Bakar; Khalid, Muhammad; Ali, Akbar; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Imran, Muhammad; Irfan, Ahmad; Khan, Muhammad Usman; Paixão, Marcio Weber
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	14
Pages of publication	9222 - 9230
a	9.581 ± 0.0009 Å
b	12.8164 ± 0.0013 Å
c	19.359 ± 0.002 Å
α	89.075 ± 0.004°
β	84.551 ± 0.003°
γ	77.443 ± 0.004°
Cell volume	2309.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
281976 (current)	2023-03-22	cif/ Adding structures of 7246499 via cif-deposit CGI script.	7246499.cif