Crystallography Open Database

Information card for entry 4501989

4501988 << 4501989 >> 4501990

Preview

Coordinates	4501989.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Urea:succinic acid cocrystal
Chemical name	Urea:succinic acid cocrystal
Formula	C5 H10 N2 O5
Calculated formula	C5 H10 N2 O5
SMILES	C(=O)(N)N.C(=O)(CCC(=O)O)O
Title of publication	1:1 and 2:1 Urea−Succinic Acid Cocrystals: Structural Diversity, Solution Chemistry, and Thermodynamic Stability
Authors of publication	Alhalaweh, Amjad; George, Sumod; Boström, Dan; Velaga, Sitaram P.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	11
Pages of publication	4847
a	18.725 ± 0.0011 Å
b	6.512 ± 0.0007 Å
c	6.421 ± 0.0005 Å
α	90°
β	90.834 ± 0.006°
γ	90°
Cell volume	782.88 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.245
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
179550 (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 4/50/19.	4501989.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501989.cif
36194	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501989 via cif-deposit CGI script.	4501989.cif