Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach
Authors of publication
Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.
Journal of publication
CrystEngComm
Year of publication
2018
Journal volume
20
Journal issue
14
Pages of publication
2016
a
8.45 ± 0.004 Å
b
9.153 ± 0.002 Å
c
10.952 ± 0.004 Å
α
67.5 ± 0.03°
β
67.45 ± 0.02°
γ
72.56 ± 0.03°
Cell volume
711 ± 0.5 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
5
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0305
Residual factor for significantly intense reflections
0.0267
Weighted residual factors for significantly intense reflections
0.0744
Weighted residual factors for all reflections included in the refinement
0.077
Goodness-of-fit parameter for all reflections included in the refinement
