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Geometry for C3H7N (Cyclopropylamine) 1A' C1

1910171554
InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2 INChIKey=HTJDQJBWANPRPF-UHFFFAOYSA-N

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5235 0.0000   0.0000 0.0000 0.5235
H2 -0.4044 1.5260 0.0000   0.3696 -0.1640 1.5260
N3 1.4279 0.3826 0.0000   -1.3052 0.5790 0.3826
C4 -0.7864 -0.5032 0.7512   0.4143 -1.0056 -0.5032
C5 -0.7864 -0.5032 -0.7512   1.0235 0.3678 -0.5032
H6 1.8285 0.8135 0.8070   -1.9987 0.0038 0.8135
H7 1.8285 0.8135 -0.8070   -1.3443 1.4791 0.8135
H8 -1.6794 -0.1915 1.2633   1.0229 -1.8358 -0.1915
H9 -1.6794 -0.1915 -1.2633   2.0474 0.4739 -0.1915
H10 -0.2261 -1.2753 1.2458   -0.2984 -1.2305 -1.2753
H11 -0.2261 -1.2753 -1.2458   0.7119 1.0471 -1.2753
Atom - Atom Distances (Å)
  C1 H2 N3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.0810 1.4348 1.4956 1.4956 2.0196 2.0196 2.2199 2.2199 2.1997 2.1997
H2 1.0810 2.1598 2.1973 2.1973 2.4789 2.4789 2.4843 2.4843 3.0710 3.0710
N3 1.4348 2.1598 2.5004 2.5004 0.9987 0.9987 3.4031 3.4031 2.6526 2.6526
C4 1.4956 2.1973 2.5004 1.5024 2.9283 3.3166 1.0756 2.2255 1.0745 2.2131
C5 1.4956 2.1973 2.5004 1.5024 3.3166 2.9283 2.2255 1.0756 2.2131 1.0745
H6 2.0196 2.4789 0.9987 2.9283 3.3166 1.6140 3.6775 4.1955 2.9627 3.5775
H7 2.0196 2.4789 0.9987 3.3166 2.9283 1.6140 4.1955 3.6775 3.5775 2.9627
H8 2.2199 2.4843 3.4031 1.0756 2.2255 3.6775 4.1955 2.5267 1.8130 3.0955
H9 2.2199 2.4843 3.4031 2.2255 1.0756 4.1955 3.6775 2.5267 3.0955 1.8130
H10 2.1997 3.0710 2.6526 1.0745 2.2131 2.9627 3.5775 1.8130 3.0955 2.4916
H11 2.1997 3.0710 2.6526 2.2131 1.0745 3.5775 2.9627 3.0955 1.8130 2.4916
Maximum atom distance is 4.1955Å between atoms H6 and H9.
picture of Cyclopropylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C5 59.849 C1 C5 C4 59.849
N3 C1 C4 117.120 N3 C1 C5 117.120
C4 C1 C5 60.301
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 110.907 C1 N3 H7 110.907
C1 C4 H8 118.476 C1 C4 H10 116.762
C1 C5 H9 118.476 C1 C5 H11 116.762
H2 C1 N3 117.602 H2 C1 C4 116.101
H2 C1 C5 116.101 C4 C5 H9 118.434
C4 C5 H11 117.405 C5 C4 H8 118.434
C5 C4 H10 117.405 H6 N3 H7 107.804
H8 C4 H10 114.958 H9 C5 H11 114.958

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