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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

B2PLYP/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8662 0.4376 0.0045   -0.8924 0.3813 0.0068
O2 1.3758 -0.6746 -0.0004   -1.3299 -0.7613 -0.0026
N3 -0.4744 0.6613 -0.0218   0.4311 0.6904 -0.0192
C4 -1.4219 -0.4432 0.0051   1.4473 -0.3513 0.0025
H5 1.4575 1.3809 0.0207   -1.5429 1.2847 0.0274
H6 -0.8072 1.6132 0.0600   0.7024 1.6613 0.0664
H7 -2.4262 -0.0595 -0.2167   2.4249 0.0968 -0.2182
H8 -1.1417 -1.1883 -0.7525   1.2149 -1.1096 -0.7581
H9 -1.4340 -0.9450 0.9862   1.4923 -0.8554 0.9814
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2235 1.3594 2.4517 1.1134 2.0458 3.3371 2.6923 2.8576
O2 1.2235 2.2823 2.8073 2.0573 3.1629 3.8576 2.6773 2.9903
N3 1.3594 2.2823 1.4554 2.0620 1.0117 2.0898 2.0977 2.1253
C4 2.4517 2.8073 1.4554 3.4086 2.1470 1.0978 1.0989 1.1020
H5 1.1134 2.0573 2.0620 3.4086 2.2770 4.1490 3.7356 3.8344
H6 2.0458 3.1629 1.0117 2.1470 2.2770 2.3442 2.9360 2.7919
H7 3.3371 3.8576 2.0898 1.0978 4.1490 2.3442 1.7919 1.7932
H8 2.6923 2.6773 2.0977 1.0989 3.7356 2.9360 1.7919 1.7797
H9 2.8576 2.9903 2.1253 1.1020 3.8344 2.7919 1.7932 1.7797
Maximum atom distance is 4.1490Å 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 121.116 O2 C1 N3 124.077
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.534 O2 C1 H5 123.299
N3 C1 H5 112.622 N3 C4 H7 109.063
N3 C4 H8 109.624 N3 C4 H9 111.664
C4 N3 H6 119.891 H7 C4 H8 109.322
H7 C4 H9 109.207 H8 C4 H9 107.928

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