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Geometry for CH3OCH2CN (Methoxyacetonitrile) 1A C1

1910171554
InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3 INChIKey=QKPVEISEHYYHRH-UHFFFAOYSA-N

HF/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.6525 -0.7400 0.1355   1.6123 -0.8233 0.1393
O2 1.0486 0.4328 -0.4284   1.0732 0.3870 -0.4109
C3 -0.1159 0.9316 0.2024   -0.0717 0.9328 0.2167
C4 -1.2726 0.0357 0.0388   -1.2697 0.0983 0.0270
N5 -2.1635 -0.6737 -0.0891   -2.1931 -0.5638 -0.1214
H6 2.5409 -0.9226 -0.4435   2.4967 -1.0405 -0.4340
H7 0.9884 -1.5913 0.0631   0.9076 -1.6392 0.0463
H8 1.9194 -0.5717 1.1724   1.8762 -0.6852 1.1814
H9 -0.3293 1.8804 -0.2626   -0.2329 1.8984 -0.2346
H10 0.0521 1.0945 1.2614   0.0929 1.0701 1.2798
Atom - Atom Distances (Å)
  C1 O2 C3 C4 N5 H6 H7 H8 H9 H10
C1 1.4346 2.4344 3.0278 3.8232 1.0760 1.0821 1.0838 3.3094 2.6822
O2 1.4346 1.4152 2.4009 3.4143 2.0161 2.0838 2.0808 2.0053 2.0703
C3 2.4344 1.4152 1.4722 2.6181 3.3036 2.7575 2.7098 1.0779 1.0845
C4 3.0278 2.4009 1.4722 1.1460 3.9616 2.7856 3.4414 2.0937 2.0906
N5 3.8232 3.4143 2.6181 1.1460 4.7243 3.2862 4.2745 3.1492 3.1400
H6 1.0760 2.0161 3.3036 3.9616 4.7243 1.7647 1.7665 4.0159 3.6290
H7 1.0821 2.0838 2.7575 2.7856 3.2862 1.7647 1.7711 3.7275 3.0864
H8 1.0838 2.0808 2.7098 3.4414 4.2745 1.7665 1.7711 3.6233 2.5042
H9 3.3094 2.0053 1.0779 2.0937 3.1492 4.0159 3.7275 3.6233 1.7566
H10 2.6822 2.0703 1.0845 2.0906 3.1400 3.6290 3.0864 2.5042 1.7566
Maximum atom distance is 4.7243Å between atoms N5 and H6.
picture of Methoxyacetonitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 C3 117.344 O2 C3 C4 112.490
C3 C4 N5 179.232
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 105.951 O2 C1 H7 111.005
O2 C1 H8 110.655 O2 C3 H9 106.309
O2 C3 H10 111.143 C4 C3 H9 109.401
C4 C3 H10 108.761 H6 C1 H7 109.707
H6 C1 H8 109.750 H7 C1 H8 109.707
H9 C3 H10 108.643

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