Crystallography Open Database

Information card for entry 7246163

Preview

Coordinates	7246163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H9 N O2
Calculated formula	C8 H9 N O2
SMILES	O(c1ccccc1)CC(=O)N
Title of publication	Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide
Authors of publication	Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	4
Pages of publication	2631 - 2634
a	6.197 ± 0.0004 Å
b	9.2995 ± 0.0006 Å
c	13.4406 ± 0.0008 Å
α	93.647 ± 0.005°
β	95 ± 0.005°
γ	103.04 ± 0.005°
Cell volume	748.95 ± 0.08 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
280428 (current)	2023-01-19	cif/ Adding structures of 7246162, 7246163 via cif-deposit CGI script.	7246163.cif