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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

QCISD/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8655 0.4298 0.0088   -0.8916 0.3728 0.0113
O2 1.3924 -0.6643 -0.0011   -1.3464 -0.7531 -0.0036
N3 -0.4777 0.6547 -0.0387   0.4342 0.6845 -0.0359
C4 -1.4350 -0.4396 0.0093   1.4605 -0.3457 0.0065
H5 1.4495 1.3709 0.0355   -1.5352 1.2739 0.0427
H6 -0.8025 1.5966 0.1018   0.6974 1.6448 0.1089
H7 -2.3427 -0.1566 -0.5316   2.3475 -0.0019 -0.5335
H8 -0.9853 -1.3088 -0.4736   1.0677 -1.2399 -0.4803
H9 -1.6973 -0.7125 1.0395   1.7408 -0.6059 1.0353
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2144 1.3628 2.4593 1.1079 2.0377 3.3058 2.5848 2.9893
O2 1.2144 2.2888 2.8363 2.0363 3.1528 3.8066 2.5084 3.2606
N3 1.3628 2.2888 1.4547 2.0573 1.0062 2.0927 2.0742 2.1259
C4 2.4593 2.8363 1.4547 3.4057 2.1342 1.0939 1.0913 1.0975
H5 1.1079 2.0363 2.0573 3.4057 2.2642 4.1274 3.6563 3.9053
H6 2.0377 3.1528 1.0062 2.1342 2.2642 2.4181 2.9675 2.6481
H7 3.3058 3.8066 2.0927 1.0939 4.1274 2.4181 1.7814 1.7872
H8 2.5848 2.5084 2.0742 1.0913 3.6563 2.9675 1.7814 1.7754
H9 2.9893 3.2606 2.1259 1.0975 3.9053 2.6481 1.7872 1.7754
Maximum atom distance is 4.1274Å 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 121.554 O2 C1 N3 125.172
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 117.892 O2 C1 H5 122.469
N3 C1 H5 112.346 N3 C4 H7 109.574
N3 C4 H8 108.266 N3 C4 H9 112.047
C4 N3 H6 119.155 H7 C4 H8 109.215
H7 C4 H9 109.277 H8 C4 H9 108.411

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