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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/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5231 0.0000   0.2117 0.0000 0.4784
H2 -0.4065 1.5257 0.0000   0.2458 0.0000 1.5597
N3 1.4262 0.3828 0.0000   1.4591 0.0000 -0.2272
C4 -0.7859 -0.5024 0.7499   -0.9220 0.7499 -0.1413
C5 -0.7859 -0.5024 -0.7499   -0.9220 -0.7499 -0.1413
H6 1.8317 0.8077 0.8098   2.0019 0.8098 -0.0028
H7 1.8317 0.8077 -0.8098   2.0019 -0.8098 -0.0028
H8 -1.6791 -0.1899 1.2622   -1.6122 1.2622 0.5060
H9 -1.6791 -0.1899 -1.2622   -1.6122 -1.2622 0.5060
H10 -0.2257 -1.2754 1.2445   -0.7226 1.2445 -1.0749
H11 -0.2257 -1.2754 -1.2445   -0.7226 -1.2445 -1.0749
Atom - Atom Distances (Å)
  C1 H2 N3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.0819 1.4331 1.4939 1.4939 2.0228 2.0228 2.2183 2.2183 2.1988 2.1988
H2 1.0819 2.1599 2.1954 2.1954 2.4862 2.4862 2.4811 2.4811 3.0705 3.0705
N3 1.4331 2.1599 2.4979 2.4979 1.0003 1.0003 3.4006 3.4006 2.6509 2.6509
C4 1.4939 2.1954 2.4979 1.4998 2.9278 3.3168 1.0760 2.2235 1.0751 2.2111
C5 1.4939 2.1954 2.4979 1.4998 3.3168 2.9278 2.2235 1.0760 2.2111 1.0751
H6 2.0228 2.4862 1.0003 2.9278 3.3168 1.6195 3.6777 4.1969 2.9599 3.5766
H7 2.0228 2.4862 1.0003 3.3168 2.9278 1.6195 4.1969 3.6777 3.5766 2.9599
H8 2.2183 2.4811 3.4006 1.0760 2.2235 3.6777 4.1969 2.5243 1.8141 3.0942
H9 2.2183 2.4811 3.4006 2.2235 1.0760 4.1969 3.6777 2.5243 3.0942 1.8141
H10 2.1988 3.0705 2.6509 1.0751 2.2111 2.9599 3.5766 1.8141 3.0942 2.4891
H11 2.1988 3.0705 2.6509 2.2111 1.0751 3.5766 2.9599 3.0942 1.8141 2.4891
Maximum atom distance is 4.1969Å 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 59.869 C1 C5 C4 59.869
N3 C1 C4 117.149 N3 C1 C5 117.149
C4 C1 C5 60.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 111.213 C1 N3 H7 111.213
C1 C4 H8 118.439 C1 C4 H10 116.768
C1 C5 H9 118.439 C1 C5 H11 116.768
H2 C1 N3 117.692 H2 C1 C4 116.008
H2 C1 C5 116.008 C4 C5 H9 118.428
C4 C5 H11 117.390 C5 C4 H8 118.428
C5 C4 H10 117.390 H6 N3 H7 108.090
H8 C4 H10 114.981 H9 C5 H11 114.981

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