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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

1910171554
InChI=1S/CH6N2/c2-1-3/h1-3H2 INChIKey=RTWNYYOXLSILQN-UHFFFAOYSA-N

CBS-Q


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5330   0.5330 0.0000 0.0000
N2 0.0000 1.2804 -0.1788   -0.1788 0.0000 1.2804
N3 0.0000 -1.2804 -0.1788   -0.1788 0.0000 -1.2804
H4 0.8743 0.0000 1.1749   1.1749 0.8743 0.0000
H5 -0.8743 0.0000 1.1749   1.1749 -0.8743 0.0000
H6 0.8074 1.3703 -0.7613   -0.7613 0.8074 1.3703
H7 -0.8074 1.3703 -0.7613   -0.7613 -0.8074 1.3703
H8 -0.8074 -1.3703 -0.7613   -0.7613 -0.8074 -1.3703
H9 0.8074 -1.3703 -0.7613   -0.7613 0.8074 -1.3703
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4650 1.4650 1.0846 1.0846 2.0505 2.0505 2.0505 2.0505
N2 1.4650 2.5608 2.0582 2.0582 0.9996 0.9996 2.8314 2.8314
N3 1.4650 2.5608 2.0582 2.0582 2.8314 2.8314 0.9996 0.9996
H4 1.0846 2.0582 2.0582 1.7486 2.3729 2.9076 2.9076 2.3729
H5 1.0846 2.0582 2.0582 1.7486 2.9076 2.3729 2.3729 2.9076
H6 2.0505 0.9996 2.8314 2.3729 2.9076 1.6148 3.1809 2.7405
H7 2.0505 0.9996 2.8314 2.9076 2.3729 1.6148 2.7405 3.1809
H8 2.0505 2.8314 0.9996 2.9076 2.3729 3.1809 2.7405 1.6148
H9 2.0505 2.8314 0.9996 2.3729 2.9076 2.7405 3.1809 1.6148
Maximum atom distance is 3.1809Å between atoms H6 and H8.
picture of diaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 121.856
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 111.206 C1 N2 H7 111.206
C1 N3 H8 111.206 C1 N3 H9 111.206
N2 C1 H4 106.711 N2 C1 H5 106.711
N3 C1 H4 106.711 N3 C1 H5 106.711
H4 C1 H5 107.433 H6 N2 H7 107.743
H8 N3 H9 107.743

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.