Structure Data of Free Polyatomic Molecules
812
MW
C7H13N
r0
C(2)–C(3)
C(3)–C(4)
C(2)–N
C(i)–H(i) b)
Å
1.565(2)
1.532(2)
1.463(2)
1.118(8)
θ0
rs
C(2)–C(3)
C(3)–C(4)
C(2)–N
Å
1.552(14)
1.529(7)
1.466(7)
θs
Atom
C(4)
C(3)
C(5)
C(8)
C(2)
C(6)
C(7)
N
H(4)
H(3α)
H(3β)
H(5α)
H(5β)
H(8α)
H(8β)
H(2α)
H(2β)
H(6α)
H(6β)
H(7α)
H(7β)
a
1-Azabicyclo[2.2.2]octane
Quinuclidine
a0 [Å]
1.3101
0.7803
0.7803
0.7803
–0.7832
–0.7832
–0.7832
–1.2749
2.4283
1.246
1.246
1.246
1.246
1.246
1.246
–1.1601
–1.1601
–1.1601
–1.1601
–1.1601
–1.1601
b0 [Å]
0.0
–1.4377
0.7189
0.7189
–1.3780
0.6890
0.6890
0.0
0.0
–1.9836
–1.9836
1.7826
0.2010
0.2010
1.7826
–1.9018
–1.9018
1.7417
0.1601
0.1601
1.7417
C3v
(effective symmetry class)
deg
C(4)–C(3)–C(2) 108.04(9)
C(3)–C(2)–N
111.83(9)
C(3)–C(2)–H(2α) 108.60 a)
C(2)–C(3)–H(3α) 109.05 a)
N–C(2)–H(2β)
109.14 a)
C(4)–C(3)–H(3α) 110.58 a)
C(4)–C(3)–C(2)
C(3)–C(2)–N
N
deg
108.32(55)
111.85(53)
c0 [Å]
0.0
0.0
1.2451
–1.2451
0.0
1.1933
–1.1933
0.0
0.0
0.9132
–0.9132
1.2612
2.1744
–2.1744
–1.2612
0.9132
–0.9132
1.1904
2.1036
–2.1036
–1.1904
) Assumed.
) i = 2, 3 and 4.
b
Consalvo, D., Stahl, W.: J. Mol. Struct. 447 (1998) 119.
II/25D (3, 2498)
Landolt-Börnstein
New Series II/28D