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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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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.
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.