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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

wB97X-D/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8625 0.4354 0.0034   -0.8886 0.3792 0.0057
O2 1.3710 -0.6703 0.0001   -1.3252 -0.7569 -0.0021
N3 -0.4726 0.6582 -0.0207   0.4294 0.6872 -0.0180
C4 -1.4174 -0.4421 0.0049   1.4429 -0.3504 0.0022
H5 1.4559 1.3668 0.0191   -1.5406 1.2706 0.0259
H6 -0.8067 1.6054 0.0596   0.7021 1.6535 0.0663
H7 -2.4166 -0.0576 -0.2078   2.4152 0.0984 -0.2093
H8 -1.1424 -1.1763 -0.7557   1.2148 -1.0973 -0.7615
H9 -1.4206 -0.9420 0.9793   1.4789 -0.8532 0.9744
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2171 1.3537 2.4429 1.1046 2.0391 3.3227 2.6820 2.8394
O2 1.2171 2.2725 2.7977 2.0390 3.1503 3.8425 2.6729 2.9708
N3 1.3537 2.2725 1.4505 2.0550 1.0076 2.0801 2.0867 2.1117
C4 2.4429 2.7977 1.4505 3.3954 2.1374 1.0916 1.0923 1.0952
H5 1.1046 2.0390 2.0550 3.3954 2.2755 4.1325 3.7174 3.8115
H6 2.0391 3.1503 1.0076 2.1374 2.2755 2.3300 2.9181 2.7770
H7 3.3227 3.8425 2.0801 1.0916 4.1325 2.3300 1.7820 1.7842
H8 2.6820 2.6729 2.0867 1.0923 3.7174 2.9181 1.7820 1.7728
H9 2.8394 2.9708 2.1117 1.0952 3.8115 2.7770 1.7842 1.7728
Maximum atom distance is 4.1325Å 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 121.148 O2 C1 N3 124.163
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.705 O2 C1 H5 122.796
N3 C1 H5 113.039 N3 C4 H7 109.003
N3 C4 H8 109.482 N3 C4 H9 111.335
C4 N3 H6 119.715 H7 C4 H8 109.365
H7 C4 H9 109.357 H8 C4 H9 108.273

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