Crystallography Open Database

Information card for entry 7160519

Preview

Coordinates	7160519.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	phenyl(4-phenylbenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)methanonee
Formula	C23 H15 N3 O
Calculated formula	C23 H15 N3 O
Title of publication	I2‑DMSO-mediated [4+ 2 ] cyclization of methyl ketone with 2-aminobenzimidazole to construct 2,4-disubstituted benzo[4,5]imidazo[1,2-a]pyrimidines
Authors of publication	Guo, Qian; Guo, Mengyi; Cheng, Luoteng; Song, Yifan; Ma, Wanqian; Song, Yibo; Li, Suzhen; Deng, Xiaoqiong; Jia, Xinxin; Yuan, Jianyong
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	7.6699 ± 0.0001 Å
b	17.982 ± 0.0002 Å
c	12.1583 ± 0.0001 Å
α	90°
β	93.293 ± 0.001°
γ	90°
Cell volume	1674.11 ± 0.03 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
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	0.0356
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
299424 (current)	2025-04-27	cif/ Adding structures of 7160519 via cif-deposit CGI script.	7160519.cif