The crystal structure of 6-amino-2-methyl-8-(4-(methylthio)phenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile – ethanol (1/1), C20H19N5S
Authors of publication
Li, Da; Zhang, Hua; Zhang, Qing; Zhou, Yan; Zhou, Sheng
Journal of publication
Zeitschrift für Kristallographie - New Crystal Structures
Year of publication
2019
Journal volume
234
Journal issue
2
Pages of publication
197 - 198
a
12.1257 ± 0.0014 Å
b
11.0862 ± 0.0014 Å
c
16.028 ± 0.0019 Å
α
90°
β
95.948 ± 0.002°
γ
90°
Cell volume
2143 ± 0.4 Å3
Cell temperature
296 ± 2 K
Ambient diffraction temperature
296.15 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0642
Residual factor for significantly intense reflections
0.0486
Weighted residual factors for significantly intense reflections
0.1391
Weighted residual factors for all reflections included in the refinement
0.1487
Goodness-of-fit parameter for all reflections included in the refinement
