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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

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3229 0.4204 0.0000   0.1499 -0.2860 0.4204
H2 -1.2632 0.9762 0.0000   0.5864 -1.1188 0.9762
N3 0.9163 1.1656 0.0000   -0.4253 0.8116 1.1656
C4 -0.3229 -0.8793 0.7539   0.8176 0.0640 -0.8793
C5 -0.3229 -0.8793 -0.7539   -0.5178 -0.6360 -0.8793
H6 0.9553 1.7707 0.8175   0.2806 1.2256 1.7707
H7 0.9553 1.7707 -0.8175   -1.1675 0.4666 1.7707
H8 -1.2280 -1.1777 1.2732   1.6978 -0.4966 -1.1777
H9 -1.2280 -1.1777 -1.2732   -0.5577 -1.6787 -1.1777
H10 0.6034 -1.1464 1.2507   0.8276 1.1150 -1.1464
H11 0.6034 -1.1464 -1.2507   -1.3879 -0.0461 -1.1464
Atom - Atom Distances (Å)
  C1 H2 N3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.0923 1.4460 1.5025 1.5025 2.0311 2.0311 2.2348 2.2348 2.2084 2.2084
H2 1.0923 2.1877 2.2125 2.2125 2.4942 2.4942 2.5024 2.5024 3.0910 3.0910
N3 1.4460 2.1877 2.5071 2.5071 1.0178 1.0178 3.4220 3.4220 2.6472 2.6472
C4 1.5025 2.2125 2.5071 1.5077 2.9428 3.3355 1.0853 2.2400 1.0845 2.2243
C5 1.5025 2.2125 2.5071 1.5077 3.3355 2.9428 2.2400 1.0853 2.2243 1.0845
H6 2.0311 2.4942 1.0178 2.9428 3.3355 1.6350 3.6970 4.2227 2.9701 3.5932
H7 2.0311 2.4942 1.0178 3.3355 2.9428 1.6350 4.2227 3.6970 3.5932 2.9701
H8 2.2348 2.5024 3.4220 1.0853 2.2400 3.6970 4.2227 2.5465 1.8318 3.1185
H9 2.2348 2.5024 3.4220 2.2400 1.0853 4.2227 3.6970 2.5465 3.1185 1.8318
H10 2.2084 3.0910 2.6472 1.0845 2.2243 2.9701 3.5932 1.8318 3.1185 2.5014
H11 2.2084 3.0910 2.6472 2.2243 1.0845 3.5932 2.9701 3.1185 1.8318 2.5014
Maximum atom distance is 4.2227Å 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 59.884 C1 C5 C4 59.884
N3 C1 C4 116.475 N3 C1 C5 116.475
C4 C1 C5 60.232
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 109.832 C1 N3 H7 109.832
C1 C4 H8 118.553 C1 C4 H10 116.291
C1 C5 H9 118.553 C1 C5 H11 116.291
H2 C1 N3 118.389 H2 C1 C4 116.115
H2 C1 C5 116.115 C4 C5 H9 118.590
C4 C5 H11 117.263 C5 C4 H8 118.590
C5 C4 H10 117.263 H6 N3 H7 106.870
H8 C4 H10 115.168 H9 C5 H11 115.168

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