Structure Data of Free Polyatomic Molecules
480
ED
C4F12N2O
r a)
N–O
N–C
C–F
Å b)
1.462(8)
1.435(4)
1.323(2)
N,N'-Oxybis[1,1,1-trifluoro-N(trifluoromethyl)methanamine]
Perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane)
θ a)
N–O–N
C–N–C
O–N–C
F–C–F
tilt(CF3) c)
τ(CF3) d)
deg b)
105.2(26)
117.9(12)
109.3(8)
109.3(2)
2.7(11)
1.8(23)
F
essentially C2v
F
F
N
F
F
F
O
FF
N
F
F
F
F
Local C3v symmetry was assumed for the CF3 groups.
The nozzle temperature was 15 °C.
) Unidentified, possibly ra and θa.
) Three times the estimated standard errors.
c
) Tilt angle in the CNC plane between the C3 axis and the vector along N–C, defined
positive when the groups are bent away from each other.
d
) Torsional angle of the CF3 group about the N–C bond; τ = 0° when the CF3 group is exactly
staggered with respect to the opposite N–C bond. The mutual direction (C2 or C2v overall
symmetry) could not be determined, but this angle was essentially 0°.
a
b
Reinemann, S., Minkwitz, R., Oberhammer, H.: Angew. Chem. 109 (1997) 1579; Angew.
Chem., Int. Ed. Engl. 36 (1997) 1518.
Landolt-Börnstein
New Series II/28C