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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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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
MP2/6-31G*
Point group is C2
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
-0.1600 |
0.6864 |
-0.6871 |
|
-0.6808 |
-0.1849 |
0.6864 |
| N2 |
0.1600 |
-0.6864 |
-0.6871 |
|
-0.6925 |
0.1348 |
-0.6864 |
| C3 |
0.1600 |
1.4305 |
0.5320 |
|
0.5258 |
0.1792 |
1.4305 |
| C4 |
-0.1600 |
-1.4305 |
0.5320 |
|
0.5375 |
-0.1405 |
-1.4305 |
| H5 |
-1.1515 |
0.7840 |
-0.8995 |
|
-0.8570 |
-1.1835 |
0.7840 |
| H6 |
1.1515 |
-0.7840 |
-0.8995 |
|
-0.9408 |
1.1180 |
-0.7840 |
| H7 |
-0.0996 |
2.4765 |
0.3581 |
|
0.3614 |
-0.0865 |
2.4765 |
| H8 |
-0.3540 |
1.0947 |
1.4456 |
|
1.4575 |
-0.3011 |
1.0947 |
| H9 |
1.2370 |
1.3752 |
0.7135 |
|
0.6680 |
1.2622 |
1.3752 |
| H10 |
0.0996 |
-2.4765 |
0.3581 |
|
0.3542 |
0.1125 |
-2.4765 |
| H11 |
0.3540 |
-1.0947 |
1.4456 |
|
1.4317 |
0.4064 |
-1.0947 |
| H12 |
-1.2370 |
-1.3752 |
0.7135 |
|
0.7581 |
-1.2102 |
-1.3752 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
C3 |
C4 |
H5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
| N1 |
|
1.4096 |
1.4637 |
2.4428 |
1.0187 |
1.9817 |
2.0738 |
2.1801 |
2.0947 |
3.3412 |
2.8257 |
2.7151 |
| N2 |
1.4096 |
| 2.4428 |
1.4637 |
1.9817 |
1.0187 |
3.3412 |
2.8257 |
2.7151 |
2.0738 |
2.1801 |
2.0947 |
| C3 |
1.4637 |
2.4428 |
| 2.8788 |
2.0462 |
2.8172 |
1.0917 |
1.1007 |
1.0936 |
3.9113 |
2.6923 |
3.1394 |
| C4 |
2.4428 |
1.4637 |
2.8788 |
| 2.8172 |
2.0462 |
3.9113 |
2.6923 |
3.1394 |
1.0917 |
1.1007 |
1.0936 |
| H5 |
1.0187 |
1.9817 |
2.0462 |
2.8172 |
| 2.7861 |
2.3564 |
2.4964 |
2.9421 |
3.7118 |
3.3608 |
2.6965 |
| H6 |
1.9817 |
1.0187 |
2.8172 |
2.0462 |
2.7861 |
| 3.7118 |
3.3608 |
2.6965 |
2.3564 |
2.4964 |
2.9421 |
| H7 |
2.0738 |
3.3412 |
1.0917 |
3.9113 |
2.3564 |
3.7118 |
| 1.7768 |
1.7679 |
4.9570 |
3.7605 |
4.0318 |
| H8 |
2.1801 |
2.8257 |
1.1007 |
2.6923 |
2.4964 |
3.3608 |
1.7768 |
| 1.7736 |
3.7605 |
2.3010 |
2.7232 |
| H9 |
2.0947 |
2.7151 |
1.0936 |
3.1394 |
2.9421 |
2.6965 |
1.7679 |
1.7736 |
| 4.0318 |
2.7232 |
3.6993 |
| H10 |
3.3412 |
2.0738 |
3.9113 |
1.0917 |
3.7118 |
2.3564 |
4.9570 |
3.7605 |
4.0318 |
| 1.7768 |
1.7679 |
| H11 |
2.8257 |
2.1801 |
2.6923 |
1.1007 |
3.3608 |
2.4964 |
3.7605 |
2.3010 |
2.7232 |
1.7768 |
| 1.7736 |
| H12 |
2.7151 |
2.0947 |
3.1394 |
1.0936 |
2.6965 |
2.9421 |
4.0318 |
2.7232 |
3.6993 |
1.7679 |
1.7736 |
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Maximum atom distance is 4.9570Å
between atoms H7 and H10.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
C4 |
116.456 |
|
N2 |
N1 |
C3 |
116.456 |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
H6 |
108.313 |
|
N1 |
C3 |
H7 |
107.603 |
|
N1 |
C3 |
H8 |
115.732 |
|
N1 |
C3 |
H9 |
109.134 |
|
N2 |
N1 |
H5 |
108.313 |
|
N2 |
C4 |
H10 |
107.603 |
|
N2 |
C4 |
H11 |
115.732 |
|
N2 |
C4 |
H12 |
109.134 |
|
C3 |
N1 |
H5 |
109.736 |
|
C4 |
N2 |
H6 |
109.736 |
|
H7 |
C3 |
H8 |
108.277 |
|
H7 |
C3 |
H9 |
108.002 |
|
H8 |
C3 |
H9 |
107.858 |
|
H10 |
C4 |
H11 |
108.277 |
|
H10 |
C4 |
H12 |
108.002 |
|
H11 |
C4 |
H12 |
107.858 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.