Crystallography Open Database

Information card for entry 2022806

2022805 << 2022806 >> 2022807

Preview

Coordinates	2022806.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3-dihydrobenzo[<i>b</i>][1,4]dioxin-6-yl)prop-2-en-1-one
Formula	C17 H13 Cl O3
Calculated formula	C17 H13 Cl O3
Title of publication	The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
Authors of publication	Vinaya,; Richard, Austin S.; Murthy, Subbiah M.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	7
Pages of publication	674 - 677
a	5.8655 ± 0.0005 Å
b	14.3499 ± 0.0017 Å
c	16.4803 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1387.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.