Crystallography Open Database

Information card for entry 2023348

2023347 << 2023348 >> 2023349

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Coordinates	2023348.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-(4-Bromophenyl)-2,2-dichloroethan-1-one
Formula	C8 H5 Br Cl2 O
Calculated formula	C8 H5 Br Cl2 O
Title of publication	Syntheses, crystal structures, Hirshfeld surface analyses and crystal voids of 1-(4-bromophenyl)-2,2-dichloroethan-1-one and 2,2-dibromo-1-(p-tolyl)ethan-1-one
Authors of publication	Gurbanov, Atash V.; Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	7.0317 ± 0.0001 Å
b	9.78938 ± 0.00018 Å
c	14.444 ± 0.0003 Å
α	87.5944 ± 0.0015°
β	84.7254 ± 0.0013°
γ	72.0372 ± 0.0014°
Cell volume	941.7 ± 0.03 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297319 (current)	2025-01-15	cif/ Adding structures of 2023348, 2023349 via cif-deposit CGI script.	2023348.cif