Crystallography Open Database

Information card for entry 2000634

2000633 << 2000634 >> 2000635

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Coordinates	2000634.cif
Original IUCr paper	HTML

Structure parameters

Formula	C9 H9 Cl O2
Calculated formula	C9 H9 Cl O2
SMILES	ClCC(=O)c1ccccc1OC
Title of publication	2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
Authors of publication	Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	9
Pages of publication	1701 - 1703
a	8.1261 ± 0.0011 Å
b	14.4215 ± 0.0009 Å
c	7.6839 ± 0.0006 Å
α	90°
β	103.173 ± 0.009°
γ	90°
Cell volume	876.79 ± 0.15 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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