Crystallography Open Database

Information card for entry 7160748

Preview

Coordinates	7160748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 N O
Calculated formula	C10 H13 N O
Title of publication	Green synthesis of aryl amides <i>via</i> recyclable Et<sub>3</sub>N/H<sub>2</sub>O-promoted C-Cl activation in water.
Authors of publication	Ge, Shanliang; Wang, Zhongjie; Wang, Yan; Luo, Hui; He, Yu; Yang, Qinqin; Yang, Jinhui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	39
Pages of publication	8986 - 8992
a	13.8328 ± 0.0011 Å
b	13.8246 ± 0.0011 Å
c	20.3995 ± 0.0018 Å
α	90°
β	90.092 ± 0.003°
γ	90°
Cell volume	3901.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1564
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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