Crystallography Open Database

Information card for entry 2023065

2023064 << 2023065 >> 2023066

Preview

Coordinates	2023065.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Phenyl-3-(prop-2-yn-1-yloxy)quinoxaline
Formula	C17 H12 N2 O
Calculated formula	C17 H12 N2 O
SMILES	O(c1nc2c(nc1c1ccccc1)cccc2)CC#C
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline.
Authors of publication	Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	383 - 387
a	8.4614 ± 0.0014 Å
b	9.0947 ± 0.0015 Å
c	9.536 ± 0.0016 Å
α	87.739 ± 0.002°
β	72.963 ± 0.002°
γ	69.028 ± 0.002°
Cell volume	653.39 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0501
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
291723 (current)	2024-05-06	cif/ Updating files of 2023065 Original log message: Adding full bibliography for 2023065.cif.	2023065.cif
290611	2024-03-23	cif/ Adding structures of 2023065 via cif-deposit CGI script.	2023065.cif