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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

B3PW91/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8628 0.4339 0.0044   -0.8889 0.3776 0.0066
O2 1.3693 -0.6705 -0.0003   -1.3234 -0.7570 -0.0024
N3 -0.4701 0.6566 -0.0198   0.4270 0.6855 -0.0173
C4 -1.4176 -0.4394 0.0047   1.4428 -0.3476 0.0022
H5 1.4522 1.3700 0.0175   -1.5371 1.2739 0.0238
H6 -0.8020 1.6026 0.0557   0.6976 1.6505 0.0620
H7 -2.4147 -0.0548 -0.2173   2.4131 0.1010 -0.2187
H8 -1.1390 -1.1791 -0.7495   1.2117 -1.1006 -0.7548
H9 -1.4319 -0.9375 0.9801   1.4898 -0.8477 0.9756
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2150 1.3516 2.4419 1.1063 2.0347 3.3212 2.6790 2.8458
O2 1.2150 2.2682 2.7964 2.0423 3.1440 3.8399 2.6666 2.9797
N3 1.3516 2.2682 1.4490 2.0507 1.0054 2.0801 2.0856 2.1133
C4 2.4419 2.7964 1.4490 3.3926 2.1334 1.0915 1.0925 1.0954
H5 1.1063 2.0423 2.0507 3.3926 2.2665 4.1277 3.7149 3.8169
H6 2.0347 3.1440 1.0054 2.1334 2.2665 2.3287 2.9155 2.7755
H7 3.3212 3.8399 2.0801 1.0915 4.1277 2.3287 1.7818 1.7830
H8 2.6790 2.6666 2.0856 1.0925 3.7149 2.9155 1.7818 1.7708
H9 2.8458 2.9797 2.1133 1.0954 3.8169 2.7755 1.7830 1.7708
Maximum atom distance is 4.1277Å 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 121.328 O2 C1 N3 124.108
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.636 O2 C1 H5 123.170
N3 C1 H5 112.719 N3 C4 H7 109.113
N3 C4 H8 109.496 N3 C4 H9 111.562
C4 N3 H6 119.642 H7 C4 H8 109.337
H7 C4 H9 109.233 H8 C4 H9 108.070

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