Structure Data of Free Polyatomic Molecules
590
MW
C4H9NO
Morpholine
r0
N–C
C–C
C–O
N–H
C–H
N...O
Å
1.470 a)
1.524(5)
1.442(7)
1.029(17)
1.070 b)
2.843(6)
rs
N–C
C–C
N–H
Å e)
1.4603(50)
1.5169(50)
1.0544(100)
Atom
O
C(2)
C(6)
H(2,eq)
H(2,ax)
H(6,eq)
H(6,ax)
C(3)
C(5)
H(3,eq)
H(3,ax)
H(5,eq)
H(5,ax)
N
H(N)
a0 [Å]
1.3925
0.7193
0.7193
1.2117
0.7439
1.2117
0.7439
–0.7312
–0.7312
–1.2097
–0.7616
–1.2097
–0.7616
–1.3970
–2.3723
θ0
N–C–C
C–N–C
C–C–O
C–O–C
H–C–H
H–N...O
H–N–C
ϕ 1 c)
ϕ 2 d)
θs
N–C–C
C–N–C
H–N–C
ϕ 1 c)
b0 [Å]
0.0
1.1729
–1.1729
2.0497
1.1697
–2.0497
–1.1697
1.2047
–1.2047
2.0821
1.2191
–2.0821
–1.2191
0.0
0.0
Cs
deg
107.8 a)
110.0 a)
110.8(4)
108.9(6)
109.47 b)
150.2 a)
108.5 a)
124.3 a)
125.6 a)
deg d)
108.38(50)
110.40(50)
107.54(80)
125.55(100)
c0 [Å]
0.2631
–0.2366
–0.2366
0.1289
–1.3063
0.1289
–1.3063
0.2300
0.2300
–0.1523
1.2994
–0.1523
1.2994
–0.2876
0.0408
a
) Dependent parameter.
) Assumed.
c
) Dihedral angle between the C–N–C and CCCC planes.
d
) Dihedral angle between the C–O–C and CCCC planes.
e
) Uncertainties were not estimated in the original paper.
b
Indris, O., Stahl, W., Kretchmer, U.: J. Mol. Spectrosc. 190 (1998) 372.
Landolt-Börnstein
New Series II/28C
O
N
H