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Geometry for CH7N3 (triaminomethane) 1A C3

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

B1B95/6-31G(2df,p)


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3668   0.0000 0.0000 0.3668
H2 0.0000 0.0000 1.4624   0.0000 0.0000 1.4624
N3 0.0000 1.3888 -0.0535   1.0669 0.8891 -0.0535
N4 1.2028 -0.6944 -0.0535   -1.3035 0.4794 -0.0535
N5 -1.2028 -0.6944 -0.0535   0.2365 -1.3686 -0.0535
H6 0.8797 1.8123 0.2210   0.8291 1.8359 0.2210
H7 1.1296 -1.6679 0.2210   -2.0045 -0.2000 0.2210
H8 -2.0093 -0.1443 0.2210   1.1754 -1.6360 0.2210
H9 -0.0282 1.4269 -1.0677   1.1143 0.8918 -1.0677
H10 1.2499 -0.6890 -1.0677   -1.3295 0.5191 -1.0677
H11 -1.2217 -0.7379 -1.0677   0.2152 -1.4109 -1.0677
Atom - Atom Distances (Å)
  C1 H2 N3 N4 N5 H6 H7 H8 H9 H10 H11
C1 1.0956 1.4510 1.4510 1.4510 2.0197 2.0197 2.0197 2.0235 2.0235 2.0235
H2 1.0956 2.0559 2.0559 2.0559 2.3662 2.3662 2.3662 2.9049 2.9049 2.9049
N3 1.4510 2.0559 2.4056 2.4056 1.0141 3.2704 2.5423 1.0153 2.6284 2.6541
N4 1.4510 2.0559 2.4056 2.4056 2.5423 1.0141 3.2704 2.6541 1.0153 2.6284
N5 1.4510 2.0559 2.4056 2.4056 3.2704 2.5423 1.0141 2.6284 2.6541 1.0153
H6 2.0197 2.3662 1.0141 2.5423 3.2704 3.4892 3.4892 1.6228 2.8380 3.5468
H7 2.0197 2.3662 3.2704 1.0141 2.5423 3.4892 3.4892 3.5468 1.6228 2.8380
H8 2.0197 2.3662 2.5423 3.2704 1.0141 3.4892 3.4892 2.8380 3.5468 1.6228
H9 2.0235 2.9049 1.0153 2.6541 2.6284 1.6228 3.5468 2.8380 2.4720 2.4720
H10 2.0235 2.9049 2.6284 1.0153 2.6541 2.8380 1.6228 3.5468 2.4720 2.4720
H11 2.0235 2.9049 2.6541 2.6284 1.0153 3.5468 2.8380 1.6228 2.4720 2.4720
Maximum atom distance is 3.5468Å between atoms H6 and H11.
picture of triaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C1 N4 111.972 N3 C1 N5 111.972
N4 C1 N5 111.972
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 108.736 C1 N3 H9 108.979
C1 N4 H7 108.736 C1 N4 H10 108.979
C1 N5 H8 108.736 C1 N5 H11 108.979
H2 C1 N3 106.837 H2 C1 N4 106.837
H2 C1 N5 106.837 H6 N3 H9 106.190
H7 N4 H10 106.190 H8 N5 H11 106.190

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