Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study
Authors of publication
Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.
Journal of publication
Journal of the Chemical Society, Perkin Transactions 2
Year of publication
2000
Journal issue
3
Pages of publication
501
a
7.1363 ± 0.0002 Å
b
7.2813 ± 0.0002 Å
c
11.6544 ± 0.0003 Å
α
87.8805 ± 0.0018°
β
72.1948 ± 0.0013°
γ
82.7986 ± 0.0016°
Cell volume
572.03 ± 0.03 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 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
0.0442
Residual factor for significantly intense reflections
0.0221
Weighted residual factors for significantly intense reflections
0.0281
Weighted residual factors for all reflections included in the refinement
0.0323
Goodness-of-fit parameter for all reflections included in the refinement
