Crystallography Open Database

Information card for entry 2023047

2023046 << 2023047 >> 2023048

Preview

Coordinates	2023047.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(6-Acetyl-1-nitronaphthalen-2-yl)acetamide
Formula	C14 H12 N2 O4
Calculated formula	C14 H12 N2 O4
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.
Authors of publication	Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	347 - 350
a	8.7649 ± 0.0014 Å
b	6.8899 ± 0.0011 Å
c	10.6868 ± 0.0018 Å
α	90°
β	104.676 ± 0.004°
γ	90°
Cell volume	624.31 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
291728 (current)	2024-05-06	cif/ Updating files of 2023047 Original log message: Adding full bibliography for 2023047.cif.	2023047.cif
290374	2024-03-07	cif/ Adding structures of 2023047 via cif-deposit CGI script.	2023047.cif