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Geometry for C3H7NO (dimethylformamide) 1A' CS

1910171554
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 INChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N

B1B95/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6893 -0.8230 0.0000   -0.8653 0.6354 0.0000
O2 0.1950 -1.9316 0.0000   -1.9401 0.0712 0.0000
N3 0.0000 0.3509 0.0000   0.3502 0.0224 0.0000
C4 -1.4419 0.3338 0.0000   0.4252 -1.4176 0.0000
C5 0.6718 1.6212 0.0000   1.5749 0.7740 0.0000
H6 1.7904 -0.6475 0.0000   -0.7606 1.7453 0.0000
H7 -1.7597 -0.7144 0.0000   -0.6005 -1.8017 0.0000
H8 -1.8421 0.8391 0.8932   0.9550 -1.7847 0.8932
H9 -1.8421 0.8391 -0.8932   0.9550 -1.7847 -0.8932
H10 1.7576 1.4596 0.0000   1.3444 1.8473 0.0000
H11 0.4105 2.2145 -0.8915   2.1838 0.5511 -0.8915
H12 0.4105 2.2145 0.8915   2.1838 0.5511 0.8915
Atom - Atom Distances (Å)
  C1 O2 N3 C4 C5 H6 H7 H8 H9 H10 H11 H12
C1 1.2139 1.3613 2.4249 2.4442 1.1149 2.4514 3.1573 3.1573 2.5202 3.1778 3.1778
O2 1.2139 2.2908 2.7949 3.5846 2.0480 2.3026 3.5530 3.5530 3.7339 4.2463 4.2463
N3 1.3613 2.2908 1.4420 1.4370 2.0499 2.0570 2.1046 2.1046 2.0781 2.1062 2.1062
C4 2.4249 2.7949 1.4420 2.4748 3.3779 1.0953 1.1015 1.1015 3.3918 2.7862 2.7862
C5 2.4442 3.5846 1.4370 2.4748 2.5295 3.3714 2.7801 2.7801 1.0978 1.1023 1.1023
H6 1.1149 2.0480 2.0499 3.3779 2.5295 3.5506 4.0252 4.0252 2.1074 3.3000 3.3000
H7 2.4514 2.3026 2.0570 1.0953 3.3714 3.5506 1.7938 1.7938 4.1349 3.7527 3.7527
H8 3.1573 3.5530 2.1046 1.1015 2.7801 4.0252 1.7938 1.7864 3.7604 3.1860 2.6393
H9 3.1573 3.5530 2.1046 1.1015 2.7801 4.0252 1.7938 1.7864 3.7604 2.6393 3.1860
H10 2.5202 3.7339 2.0781 3.3918 1.0978 2.1074 4.1349 3.7604 3.7604 1.7831 1.7831
H11 3.1778 4.2463 2.1062 2.7862 1.1023 3.3000 3.7527 3.1860 2.6393 1.7831 1.7829
H12 3.1778 4.2463 2.1062 2.7862 1.1023 3.3000 3.7527 2.6393 3.1860 1.7831 1.7829
Maximum atom distance is 4.2463Å between atoms O2 and H11.
picture of dimethylformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C4 119.745 C1 N3 C5 121.705
O2 C1 N3 125.543 C4 N3 C5 118.550
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 123.088 N3 C1 H6 111.369
N3 C4 H7 107.544 N3 C4 H8 110.970
N3 C4 H9 110.970 N3 C5 H10 109.409
N3 C5 H11 111.409 N3 C5 H12 111.409
H7 C4 H8 109.486 H7 C4 H9 109.486
H8 C4 H9 108.370 H10 C5 H11 108.281
H10 C5 H12 108.281 H11 C5 H12 107.947

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