Crystallography Open Database

Information card for entry 2100867

Preview

Coordinates	2100867.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H5 Cl F N
Calculated formula	C6 H5 Cl F N
SMILES	Nc1ccc(c(c1)Cl)F
Title of publication	Electron-density distribution in fluorobenzene derivatives
Authors of publication	Kubota, M.; Ohba, S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	6
Pages of publication	849 - 854
a	14.608 ± 0.005 Å
b	15.757 ± 0.006 Å
c	5.303 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1220.6 ± 0.8 Å³
Number of distinct elements	5
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.