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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

LSDA/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.4910 -0.8288 0.1523   -1.5340 -0.7520 0.1196
O2 1.1433 0.4416 -0.4785   -1.1130 0.5106 -0.4813
C3 -0.0159 0.9529 0.2323   0.0632 0.9460 0.2519
C4 -1.2411 0.0990 0.0563   1.2439 0.0324 0.0713
N5 -2.1832 -0.6294 -0.1255   2.1485 -0.7409 -0.1156
H6 2.3730 -1.2153 -0.3914   -2.4288 -1.0806 -0.4410
H7 0.6633 -1.5692 0.0790   -0.7456 -1.5333 0.0399
H8 1.7505 -0.7029 1.2275   -1.7990 -0.6340 1.1945
H9 -0.2228 1.9643 -0.1862   0.3276 1.9531 -0.1436
H10 0.1678 1.0574 1.3334   -0.1275 1.0380 1.3529
Atom - Atom Distances (Å)
  C1 O2 C3 C4 N5 H6 H7 H8 H9 H10
C1 1.4603 2.3349 2.8869 3.6901 1.1058 1.1129 1.1133 3.2943 2.5891
O2 1.4603 1.4528 2.4676 3.5125 2.0651 2.1411 2.1422 2.0665 2.1480
C3 2.3349 1.4528 1.5037 2.7072 3.2859 2.6165 2.6177 1.1139 1.1212
C4 2.8869 2.4676 1.5037 1.2047 3.8717 2.5319 3.3113 2.1389 2.1294
N5 3.6901 3.5125 2.7072 1.2047 4.6014 3.0046 4.1605 3.2518 3.2405
H6 1.1058 2.0651 3.2859 3.8717 4.6014 1.8082 1.8085 4.1097 3.6059
H7 1.1129 2.1411 2.6165 2.5319 3.0046 1.8082 1.8032 3.6525 2.9526
H8 1.1133 2.1422 2.6177 3.3113 4.1605 1.8085 1.8032 3.6064 2.3695
H9 3.2943 2.0665 1.1139 2.1389 3.2518 4.1097 3.6525 3.6064 1.8122
H10 2.5891 2.1480 1.1212 2.1294 3.2405 3.6059 2.9526 2.3695 1.8122
Maximum atom distance is 4.6014Å 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 106.547 O2 C3 C4 113.142
C3 C4 N5 176.571
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 106.354 O2 C1 H7 111.918
O2 C1 H8 111.984 O2 C3 H9 106.497
O2 C3 H10 112.491 C4 C3 H9 108.682
C4 C3 H10 107.538 H6 C1 H7 109.168
H6 C1 H8 109.170 H7 C1 H8 108.187
H9 C3 H10 108.348

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