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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

CCSD=FULL/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8682 0.4374 0.0045   -0.8948 0.3802 0.0070
O2 1.3813 -0.6745 -0.0002   -1.3347 -0.7626 -0.0027
N3 -0.4757 0.6621 -0.0237   0.4318 0.6916 -0.0208
C4 -1.4281 -0.4445 0.0057   1.4540 -0.3510 0.0029
H5 1.4643 1.3742 0.0206   -1.5503 1.2762 0.0278
H6 -0.8026 1.6130 0.0648   0.6964 1.6613 0.0721
H7 -2.4374 -0.0463 -0.1707   2.4351 0.1126 -0.1721
H8 -1.1797 -1.1688 -0.7839   1.2524 -1.0861 -0.7900
H9 -1.4057 -0.9683 0.9754   1.4663 -0.8797 0.9701
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2246 1.3629 2.4599 1.1104 2.0438 3.3454 2.7195 2.8442
O2 1.2246 2.2881 2.8188 2.0504 3.1633 3.8737 2.7235 2.9674
N3 1.3629 2.2881 1.4603 2.0671 1.0095 2.0908 2.1037 2.1263
C4 2.4599 2.8188 1.4603 3.4167 2.1513 1.0992 1.0999 1.1024
H5 1.1104 2.0504 2.0671 3.4167 2.2799 4.1566 3.7556 3.8257
H6 2.0438 3.1633 1.0095 2.1513 2.2799 2.3412 2.9327 2.8029
H7 3.3454 3.8737 2.0908 1.0992 4.1566 2.3412 1.7938 1.7967
H8 2.7195 2.7235 2.1037 1.0999 3.7556 2.9327 1.7938 1.7851
H9 2.8442 2.9674 2.1263 1.1024 3.8257 2.8029 1.7967 1.7851
Maximum atom distance is 4.1566Å 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 121.190 O2 C1 N3 124.243
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.214 O2 C1 H5 122.759
N3 C1 H5 112.994 N3 C4 H7 108.730
N3 C4 H8 109.707 N3 C4 H9 111.377
C4 N3 H6 120.056 H7 C4 H8 109.314
H7 C4 H9 109.390 H8 C4 H9 108.300

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