Regiospecific Synthesis and Structural Studies of 3,5-Dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro-2H-benzo[b][1,4]diazepin-2-ones
Authors of publication
Núñez Alonso, David; Pérez-Torralba, Marta; Claramunt, Rosa M.; Torralba, M. Carmen; Delgado-Martínez, Patricia; Alkorta, Ibon; Elguero, José; Roussel, Christian
Journal of publication
ACS Omega
Year of publication
2020
a
21.088 ± 0.003 Å
b
8.619 ± 0.0013 Å
c
17.432 ± 0.003 Å
α
90°
β
126.527 ± 0.002°
γ
90°
Cell volume
2546 ± 0.7 Å3
Cell temperature
296 ± 2 K
Ambient diffraction temperature
296.15 K
Number of distinct elements
4
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.091
Residual factor for significantly intense reflections
0.0526
Weighted residual factors for significantly intense reflections
0.1378
Weighted residual factors for all reflections included in the refinement
0.1559
Goodness-of-fit parameter for all reflections included in the refinement
