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Geometry for HCONHCH3 (N-methylformamide) 1A' C1 cis

1910171554
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4) INChIKey=ATHHXGZTWNVVOU-UHFFFAOYSA-N

M06-2X/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8626 0.4326 0.0030   -0.8891 0.3751 0.0053
O2 1.3552 -0.6729 0.0002   -1.3082 -0.7604 -0.0021
N3 -0.4685 0.6637 -0.0201   0.4239 0.6931 -0.0174
C4 -1.4098 -0.4410 0.0048   1.4357 -0.3476 0.0022
H5 1.4678 1.3531 0.0182   -1.5534 1.2538 0.0249
H6 -0.7991 1.6105 0.0600   0.6918 1.6591 0.0668
H7 -2.4086 -0.0641 -0.2082   2.4075 0.0949 -0.2096
H8 -1.1301 -1.1712 -0.7540   1.2039 -1.0912 -0.7598
H9 -1.4089 -0.9402 0.9763   1.4683 -0.8501 0.9714
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2103 1.3512 2.4346 1.1017 2.0376 3.3155 2.6677 2.8270
O2 1.2103 2.2612 2.7748 2.0292 3.1398 3.8184 2.6447 2.9436
N3 1.3512 2.2612 1.4516 2.0558 1.0060 2.0807 2.0841 2.1095
C4 2.4346 2.7748 1.4516 3.3912 2.1412 1.0886 1.0896 1.0923
H5 1.1017 2.0292 2.0558 3.3912 2.2819 4.1336 3.7038 3.8017
H6 2.0376 3.1398 1.0060 2.1412 2.2819 2.3381 2.9172 2.7780
H7 3.3155 3.8184 2.0807 1.0886 4.1336 2.3381 1.7771 1.7804
H8 2.6677 2.6447 2.0841 1.0896 3.7038 2.9172 1.7771 1.7678
H9 2.8270 2.9436 2.1095 1.0923 3.8017 2.7780 1.7804 1.7678
Maximum atom distance is 4.1336Å between atoms H5 and H7.
picture of N-methylformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C4 120.558 O2 C1 N3 123.856
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.899 O2 C1 H5 122.656
N3 C1 H5 113.487 N3 C4 H7 109.156
N3 C4 H8 109.363 N3 C4 H9 111.258
C4 N3 H6 120.116 H7 C4 H8 109.348
H7 C4 H9 109.451 H8 C4 H9 108.238

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