First hydrogen-bonded adduct of sterically hindered 2-<i>tert</i>-butyl-4-methylphenol (TBMP) with 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD) <i>via</i> coupling of classical hydrogen bonds and C—H···π non-covalent interactions
Authors of publication
Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael
Journal of publication
Acta Crystallographica Section E
Year of publication
2022
Journal volume
78
Journal issue
6
a
11.4741 ± 0.001 Å
b
7.677 ± 0.0005 Å
c
17.2226 ± 0.0014 Å
α
90°
β
108.166 ± 0.006°
γ
90°
Cell volume
1441.5 ± 0.2 Å3
Cell temperature
173 ± 2 K
Ambient diffraction temperature
173 ± 2 K
Number of distinct elements
4
Space group number
13
Hermann-Mauguin space group symbol
P 1 2/c 1
Hall space group symbol
-P 2yc
Residual factor for all reflections
0.0575
Residual factor for significantly intense reflections
0.0495
Weighted residual factors for significantly intense reflections
0.1268
Weighted residual factors for all reflections included in the refinement
0.1318
Goodness-of-fit parameter for all reflections included in the refinement
