Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings
Authors of publication
Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2005
Journal volume
61
Journal issue
5
Pages of publication
o306 - o311
a
5.6946 ± 0.0002 Å
b
8.2994 ± 0.0003 Å
c
14.0411 ± 0.0005 Å
α
73.558 ± 0.0017°
β
87.393 ± 0.002°
γ
77.037 ± 0.002°
Cell volume
620.13 ± 0.04 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0554
Residual factor for significantly intense reflections
0.0397
Weighted residual factors for significantly intense reflections
0.1089
Weighted residual factors for all reflections included in the refinement
0.1318
Goodness-of-fit parameter for all reflections included in the refinement