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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

QCISD(T)/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8704 0.4417 0.0060   -0.8962 -0.3867 0.0060
O2 -1.3861 -0.6776 -0.0004   -1.3413 0.7625 -0.0004
N3 0.4798 0.6657 -0.0295   0.4374 -0.6942 -0.0296
C4 1.4312 -0.4485 0.0070   1.4563 0.3585 0.0071
H5 -1.4653 1.3830 0.0256   -1.5485 -1.2892 0.0254
H6 0.8093 1.6174 0.0798   0.7071 -1.6646 0.0797
H7 1.1443 -1.1975 -0.7490   1.2166 1.1240 -0.7489
H8 2.4372 -0.0619 -0.2220   2.4363 -0.0899 -0.2220
H9 1.4405 -0.9394 0.9973   1.4962 0.8479 0.9974
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2324 1.3691 2.4677 1.1138 2.0516 2.7048 3.3534 2.8688
O2 1.2324 2.2993 2.8266 2.0623 3.1770 2.6896 3.8789 3.0090
N3 1.3691 2.2993 1.4655 2.0739 1.0131 2.1049 2.0971 2.1339
C4 2.4677 2.8266 1.4655 3.4270 2.1587 1.1022 1.1018 1.1053
H5 1.1138 2.0623 2.0739 3.4270 2.2873 3.7509 4.1687 3.8447
H6 2.0516 3.1770 1.0131 2.1587 2.2873 2.9534 2.3582 2.7888
H7 2.7048 2.6896 2.1049 1.1022 3.7509 2.9534 1.7997 1.7899
H8 3.3534 3.8789 2.0971 1.1018 4.1687 2.3582 1.7997 1.8028
H9 2.8688 3.0090 2.1339 1.1053 3.8447 2.7888 1.7899 1.8028
Maximum atom distance is 4.1687Å between atoms H5 and H8.
picture of N-methylformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C4 121.011 O2 C1 N3 124.137
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.143 O2 C1 H5 122.970
N3 C1 H5 112.887 N3 C4 H7 109.300
N3 C4 H8 108.713 N3 C4 H9 111.439
C4 N3 H6 120.021 H7 C4 H8 109.479
H7 C4 H9 108.353 H8 C4 H9 109.536

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