return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH3NHNHCH3 (dimethyl hydrazine) 1A C2

1910171554
InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3 INChIKey=DIIIISSCIXVANO-UHFFFAOYSA-N

HF/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.1621 0.6819 -0.6685   -0.6619 -0.1874 0.6819
N2 0.1621 -0.6819 -0.6685   -0.6742 0.1367 -0.6819
C3 0.1621 1.4474 0.5181   0.5115 0.1817 1.4474
C4 -0.1621 -1.4474 0.5181   0.5238 -0.1424 -1.4474
H5 -1.1369 0.7647 -0.8927   -0.8490 -1.1699 0.7647
H6 1.1369 -0.7647 -0.8927   -0.9352 1.1022 -0.7647
H7 -0.0891 2.4922 0.3271   0.3303 -0.0767 2.4922
H8 -0.3566 1.1361 1.4333   1.4458 -0.3020 1.1361
H9 1.2377 1.3945 0.7037   0.6563 1.2634 1.3945
H10 0.0891 -2.4922 0.3271   0.3235 0.1015 -2.4922
H11 0.3566 -1.1361 1.4333   1.4188 0.4107 -1.1361
H12 -1.2377 -1.3945 0.7037   0.7501 -1.2101 -1.3945
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
N1 1.4019 1.4489 2.4376 1.0036 1.9572 2.0673 2.1592 2.0857 3.3361 2.8270 2.7113
N2 1.4019 2.4376 1.4489 1.9572 1.0036 3.3361 2.8270 2.7113 2.0673 2.1592 2.0857
C3 1.4489 2.4376 2.9129 2.0356 2.7989 1.0914 1.0971 1.0927 3.9449 2.7477 3.1734
C4 2.4376 1.4489 2.9129 2.7989 2.0356 3.9449 2.7477 3.1734 1.0914 1.0971 1.0927
H5 1.0036 1.9572 2.0356 2.7989 2.7403 2.3601 2.4814 2.9298 3.6876 3.3547 2.6872
H6 1.9572 1.0036 2.7989 2.0356 2.7403 3.6876 3.3547 2.6872 2.3601 2.4814 2.9298
H7 2.0673 3.3361 1.0914 3.9449 2.3601 3.6876 1.7703 1.7627 4.9875 3.8192 4.0702
H8 2.1592 2.8270 1.0971 2.7477 2.4814 3.3547 1.7703 1.7722 3.8192 2.3815 2.7771
H9 2.0857 2.7113 1.0927 3.1734 2.9298 2.6872 1.7627 1.7722 4.0702 2.7771 3.7290
H10 3.3361 2.0673 3.9449 1.0914 3.6876 2.3601 4.9875 3.8192 4.0702 1.7703 1.7627
H11 2.8270 2.1592 2.7477 1.0971 3.3547 2.4814 3.8192 2.3815 2.7771 1.7703 1.7722
H12 2.7113 2.0857 3.1734 1.0927 2.6872 2.9298 4.0702 2.7771 3.7290 1.7627 1.7722
Maximum atom distance is 4.9875Å between atoms H7 and H10.
picture of dimethyl hydrazine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 C4 117.531 N2 N1 C3 117.531
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 H6 107.755 N1 C3 H7 108.117
N1 C3 H8 115.310 N1 C3 H9 109.503
N2 N1 H5 107.755 N2 C4 H10 108.117
N2 C4 H11 115.310 N2 C4 H12 109.503
C3 N1 H5 110.901 C4 N2 H6 110.901
H7 C3 H8 107.981 H7 C3 H9 107.619
H8 C3 H9 108.052 H10 C4 H11 107.981
H10 C4 H12 107.619 H11 C4 H12 108.052

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