Crystallography Open Database

Information card for entry 4500480

Preview

Coordinates	4500480.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-fluoro benzamide
Formula	C7 H6 F N O
Calculated formula	C7 H6 F N O
Title of publication	Charge Density Analysis of Heterohalogen (Cl···F) and Homohalogen (F···F) Intermolecular Interactions in Molecular Crystals: Importance of the Extent of Polarizability
Authors of publication	Hathwar, Venkatesha R.; Guru Row, Tayur N.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1338
a	8.8715 ± 0.0003 Å
b	7.6301 ± 0.0003 Å
c	9.6077 ± 0.0003 Å
α	90°
β	92.576 ± 0.002°
γ	90°
Cell volume	649.69 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for all reflections included in the refinement	0.0451
RFsqd	0.022
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation probe	x-ray
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
179535 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/04.	4500480.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500480.cif
34513	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500480 via cif-deposit CGI script.	4500480.cif