Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube
Authors of publication
Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.
Journal of publication
Acta Crystallographica Section C
Year of publication
2019
Journal volume
75
Journal issue
6
a
13.0549 ± 0.0006 Å
b
15.6867 ± 0.0008 Å
c
20.0965 ± 0.001 Å
α
90°
β
100.315 ± 0.002°
γ
90°
Cell volume
4049 ± 0.3 Å3
Cell temperature
296 ± 2 K
Ambient diffraction temperature
296 ± 2 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.1479
Residual factor for significantly intense reflections
0.1274
Weighted residual factors for significantly intense reflections
0.3139
Weighted residual factors for all reflections included in the refinement
0.3465
Goodness-of-fit parameter for all reflections included in the refinement