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Geometry for CH7N3 (triaminomethane) 1A C3

1910171554
InChI=1S/CH7N3/c2-1(3)4/h1H,2-4H2 INChIKey=

PBEPBE/cc-pVDZ


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3664   -0.0000 -0.0000 0.3664
H2 0.0000 0.0000 1.4804   -0.0000 -0.0000 1.4804
N3 0.0000 1.4057 -0.0518   -0.1040 -1.4018 -0.0518
N4 1.2173 -0.7028 -0.0518   1.2660 0.6109 -0.0518
N5 -1.2173 -0.7028 -0.0518   -1.1620 0.7909 -0.0518
H6 0.9076 1.8166 0.2231   0.7707 -1.8788 0.2231
H7 1.1195 -1.6943 0.2231   1.2417 1.6068 0.2231
H8 -2.0270 -0.1223 0.2231   -2.0124 0.2719 0.2231
H9 0.0087 1.4274 -1.0866   -0.0969 -1.4241 -1.0866
H10 1.2318 -0.7213 -1.0866   1.2818 0.6282 -1.0866
H11 -1.2405 -0.7061 -1.0866   -1.1849 0.7960 -1.0866
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.1141 1.4666 1.4666 1.4666 2.0357 2.0357 2.0357 2.0369 2.0369 2.0369
H2 1.1141 2.0793 2.0793 2.0793 2.3884 2.3884 2.3884 2.9372 2.9372 2.9372
N3 1.4666 2.0793 2.4347 2.4347 1.0335 3.3073 2.5533 1.0351 2.6668 2.6588
N4 1.4666 2.0793 2.4347 2.4347 2.5533 1.0335 3.3073 2.6588 1.0351 2.6668
N5 1.4666 2.0793 2.4347 2.4347 3.3073 2.5533 1.0335 2.6668 2.6588 1.0351
H6 2.0357 2.3884 1.0335 2.5533 3.3073 3.5173 3.5173 1.6355 2.8743 3.5629
H7 2.0357 2.3884 3.3073 1.0335 2.5533 3.5173 3.5173 3.5629 1.6355 2.8743
H8 2.0357 2.3884 2.5533 3.3073 1.0335 3.5173 3.5173 2.8743 3.5629 1.6355
H9 2.0369 2.9372 1.0351 2.6588 2.6668 1.6355 3.5629 2.8743 2.4724 2.4724
H10 2.0369 2.9372 2.6668 1.0351 2.6588 2.8743 1.6355 3.5629 2.4724 2.4724
H11 2.0369 2.9372 2.6588 2.6668 1.0351 3.5629 2.8743 1.6355 2.4724 2.4724
Maximum atom distance is 3.5629Å between atoms H7 and H9.
picture of triaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C1 N4 112.212 N3 C1 N5 112.212
N4 C1 N5 112.212
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 107.773 C1 N3 H9 107.771
C1 N4 H7 107.773 C1 N4 H10 107.771
C1 N5 H8 107.773 C1 N5 H11 107.771
H2 C1 N3 106.568 H2 C1 N4 106.568
H2 C1 N5 106.568 H6 N3 H9 104.491
H7 N4 H10 104.491 H8 N5 H11 104.491

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