Crystallography Open Database

Information card for entry 7203724

7203723 << 7203724 >> 7203725

Preview

Coordinates	7203724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 N2 O2
Calculated formula	C6 H10 N2 O2
Title of publication	An exploration of the polymorphism of piracetam using high pressure
Authors of publication	Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	29
Pages of publication	179
a	6.7254 ± 0.0002 Å
b	13.2572 ± 0.0004 Å
c	8.0529 ± 0.0002 Å
α	90°
β	98.603 ± 0.002°
γ	90°
Cell volume	709.92 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for all reflections	0.0913
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	0.9736
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7203724.cif
180368	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/37.	7203724.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203724.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203724.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203724.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203724.cif