Structure Data of Free Polyatomic Molecules
672
MW
C5H11N
Piperidine
rs
N–H
N–C(2)
C(2)–C(3)
C(3)–C(4)
C(2)–H(ax)
C(2)–H(eq)
C(3)–H(ax)
C(3)–H(eq)
C(4)–H(ax)
C(4)–H(eq)
Atom
C(2)
C(3)
C(4)
Å a)
0.996 b)
1.411 b)
1.5399(20)
1.5132(20)
1.101 b)
1.093 b)
1.101 b)
1.093 b)
1.101 b)
1.093 b)
|as| [Å]
0.7295
0.7248
1.4733
|bs| [Å]
1.2080
1.2389
0.0
θs
C(6)–N–C(2)
N–C(2)–C(3)
C(2)–C(3)–C(4)
C(3)–C(4)–C(5)
C(3)–C(2)–H(ax)
C(3)–C(2)–H(eq)
C(2)–C(3)–H(ax)
C(2)–C(3)–H(eq)
H(ax)–C(2)–H(eq)
H(ax)–C(3)–H(eq)
H(ax)–C(4)–H(eq)
ϕ 1 c)
ϕ 2 d)
ϕ 3 e)
Cs (chair form, equatorial)
deg a)
107.64 b)
109.15 b)
110.80(20)
109.92(20)
108.83 b)
110.55 b)
108.83 b)
110.55 b)
106.65 b)
106.65 b)
106.65 b)
121.76 b)
125.44 b)
130.32(50)
NH
|cs| [Å]
0.2321
0.2732
0.1680
a
) Uncertainties were not estimated in the original paper.
) Assumed.
c
) Angle between the N–H bond and the C(2)NC(6) plane.
d
) Dihedral angle between the C(2)NC(6) and C(2)C(3)C(5)C(6) planes.
e
) Dihedral angle between the C(3)C(4)C(5) and C(2)C(3)C(5)C(6) planes.
b
Spoerel, U., Stahl, W.: Chem. Phys. 239 (1998) 97.
II/25D (3, 2054)
Landolt-Börnstein
New Series II/28D