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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

MP2/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8834 0.4560 0.0478   -0.9113 0.3968 0.0502
O2 1.4224 -0.6777 -0.0156   -1.3749 -0.7695 -0.0178
N3 -0.5402 0.7148 -0.1867   0.4920 0.7495 -0.1839
C4 -1.4229 -0.4805 0.0439   1.4514 -0.3863 0.0410
H5 1.4365 1.4220 0.1971   -1.5266 1.3237 0.2041
H6 -0.8497 1.5113 0.4267   0.7490 1.5620 0.4329
H7 -2.4524 -0.2390 -0.2805   2.4626 -0.0763 -0.2829
H8 -1.0414 -1.3198 -0.5662   1.1253 -1.2461 -0.5726
H9 -1.4531 -0.8093 1.1048   1.5040 -0.7169 1.1005
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2569 1.4658 2.4892 1.1231 2.0642 3.4232 2.6898 2.8596
O2 1.2569 2.4125 2.8528 2.1104 3.1859 3.9086 2.6049 3.0888
N3 1.4658 2.4125 1.5037 2.1342 1.0519 2.1389 2.1294 2.1963
C4 2.4892 2.8528 1.5037 3.4379 2.1077 1.1061 1.1055 1.1111
H5 1.1231 2.1104 2.1342 3.4379 2.2994 4.2557 3.7735 3.7619
H6 2.0642 3.1859 1.0519 2.1077 2.2994 2.4764 3.0063 2.4918
H7 3.4232 3.9086 2.1389 1.1061 4.2557 2.4764 1.8002 1.8008
H8 2.6898 2.6049 2.1294 1.1055 3.7735 3.0063 1.8002 1.7951
H9 2.8596 3.0888 2.1963 1.1111 3.7619 2.4918 1.8008 1.7951
Maximum atom distance is 4.2557Å 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 113.909 O2 C1 N3 124.587
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 109.032 O2 C1 H5 124.836
N3 C1 H5 110.353 N3 C4 H7 109.136
N3 C4 H8 108.432 N3 C4 H9 113.426
C4 N3 H6 109.864 H7 C4 H8 108.974
H7 C4 H9 108.627 H8 C4 H9 108.164

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