Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine.
Authors of publication
Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J.
Journal of publication
The journal of physical chemistry. A
Year of publication
2011
Journal volume
115
Journal issue
42
Pages of publication
11775 - 11787
a
10.97 ± 0.002 Å
b
8.986 ± 0.0018 Å
c
20.881 ± 0.004 Å
α
90°
β
103.66 ± 0.03°
γ
90°
Cell volume
2000.2 ± 0.7 Å3
Cell temperature
90 ± 2 K
Ambient diffraction temperature
90 ± 2 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
0.0907
Residual factor for significantly intense reflections
0.0424
Weighted residual factors for significantly intense reflections
0.1169
Weighted residual factors for all reflections included in the refinement
0.1322
Goodness-of-fit parameter for all reflections included in the refinement
