Crystallography Open Database

Information card for entry 4029772

Preview

Coordinates	4029772.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	melamine + uracil
Formula	C7 H10 N8 O2
Calculated formula	C7 H10 N8 O2
SMILES	Nc1nc(nc(n1)N)N.N1C(=O)C=CNC1=O
Title of publication	A hydrogen-bonded channel structure formed by a complex of uracil and melamine.
Authors of publication	Thomas, Reji; Kulkarni, G. U.
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2007
Journal volume	3
Journal issue	1
Pages of publication	17
a	14.3618 ± 0.001 Å
b	7.5472 ± 0.0006 Å
c	18.9922 ± 0.0014 Å
α	90°
β	91.838 ± 0.004°
γ	90°
Cell volume	2057.5 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0443
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029772.cif
120292	2014-07-14	cif/ Adding structures of 4029772 via cif-deposit CGI script.	4029772.cif