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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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3224 0.4244 0.0000   0.1548 -0.2828 0.4244
H2 -1.2790 0.9754 0.0000   0.6142 -1.1219 0.9754
N3 0.9181 1.1710 0.0000   -0.4409 0.8053 1.1710
C4 -0.3224 -0.8848 0.7570   0.8189 0.0807 -0.8848
C5 -0.3224 -0.8848 -0.7570   -0.5092 -0.6463 -0.8848
H6 0.9485 1.7873 0.8215   0.2651 1.2265 1.7873
H7 0.9485 1.7873 -0.8215   -1.1760 0.4375 1.7873
H8 -1.2341 -1.1825 1.2841   1.7190 -0.4658 -1.1825
H9 -1.2341 -1.1825 -1.2841   -0.5338 -1.6991 -1.1825
H10 0.6132 -1.1555 1.2549   0.8063 1.1404 -1.1555
H11 0.6132 -1.1555 -1.2549   -1.3952 -0.0647 -1.1555
Atom - Atom Distances (Å)
  C1 H2 N3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.1039 1.4478 1.5123 1.5123 2.0365 2.0365 2.2499 2.2499 2.2240 2.2240
H2 1.1039 2.2058 2.2245 2.2245 2.5091 2.5091 2.5114 2.5114 3.1138 3.1138
N3 1.4478 2.2058 2.5175 2.5175 1.0274 1.0274 3.4379 3.4379 2.6608 2.6608
C4 1.5123 2.2245 2.5175 1.5141 2.9596 3.3536 1.0943 2.2552 1.0938 2.2352
C5 1.5123 2.2245 2.5175 1.5141 3.3536 2.9596 2.2552 1.0943 2.2352 1.0938
H6 2.0365 2.5091 1.0274 2.9596 3.3536 1.6429 3.7144 4.2446 2.9934 3.6171
H7 2.0365 2.5091 1.0274 3.3536 2.9596 1.6429 4.2446 3.7144 3.6171 2.9934
H8 2.2499 2.5114 3.4379 1.0943 2.2552 3.7144 4.2446 2.5682 1.8477 3.1400
H9 2.2499 2.5114 3.4379 2.2552 1.0943 4.2446 3.7144 2.5682 3.1400 1.8477
H10 2.2240 3.1138 2.6608 1.0938 2.2352 2.9934 3.6171 1.8477 3.1400 2.5097
H11 2.2240 3.1138 2.6608 2.2352 1.0938 3.6171 2.9934 3.1400 1.8477 2.5097
Maximum atom distance is 4.2446Å 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 59.961 C1 C5 C4 59.961
N3 C1 C4 116.513 N3 C1 C5 116.513
C4 C1 C5 60.079
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 109.553 C1 N3 H7 109.553
C1 C4 H8 118.463 C1 C4 H10 116.238
C1 C5 H9 118.463 C1 C5 H11 116.238
H2 C1 N3 119.017 H2 C1 C4 115.599
H2 C1 C5 115.599 C4 C5 H9 118.791
C4 C5 H11 117.073 C5 C4 H8 118.791
C5 C4 H10 117.073 H6 N3 H7 106.175
H8 C4 H10 115.217 H9 C5 H11 115.217

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