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Geometry for C2H6N2O2 (Dimethylnitroamine) 1A C1

1910171554
InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3 INChIKey=XRWKADIRZXTTLH-UHFFFAOYSA-N

B1B95/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 1.4161 1.1665 0.0517   1.4164 1.1665 0.0444
O2 1.4161 -1.1667 0.0517   1.4164 -1.1667 0.0444
H3 -1.6116 1.1412 1.1527   -1.6057 1.1412 1.1609
H4 -2.1436 1.5311 -0.5242   -2.1462 1.5311 -0.5132
H5 -0.5027 2.0313 0.0393   -0.5025 2.0313 0.0418
C6 -1.2822 1.2545 0.1042   -1.2817 1.2545 0.1108
H7 -1.6124 -1.1407 1.1525   -1.6065 -1.1407 1.1608
H8 -0.5033 -2.0312 0.0396   -0.5031 -2.0312 0.0422
H9 -2.1439 -1.5308 -0.5244   -2.1466 -1.5308 -0.5134
C10 -1.2827 -1.2543 0.1042   -1.2822 -1.2543 0.1108
N11 0.8483 -0.0001 -0.0325   0.8481 -0.0001 -0.0368
N12 -0.6698 0.0000 -0.4551   -0.6722 0.0000 -0.4517
Atom - Atom Distances (Å)
  O1 O2 H3 H4 H5 C6 H7 H8 H9 C10 N11 N12
O1 2.3332 3.2218 3.6244 2.1047 2.7003 3.9632 3.7296 4.5034 3.6258 1.3002 2.4431
O2 2.3332 3.9630 4.5034 3.7295 3.6258 3.2225 2.1052 3.6247 2.7008 1.3002 2.4432
H3 3.2218 3.9630 1.8019 1.8060 1.1048 2.2819 3.5400 3.1993 2.6355 2.9594 2.1850
H4 3.6244 4.5034 1.8019 1.8056 1.1015 3.1988 3.9621 3.0619 2.9824 3.3967 2.1262
H5 2.1047 3.7295 1.8060 1.8056 1.1024 3.5401 4.0625 3.9622 3.3775 2.4406 2.0972
C6 2.7003 3.6258 1.1048 1.1015 1.1024 2.6354 3.3774 2.9826 2.5089 2.4763 1.5039
H7 3.9632 3.2225 2.2819 3.1988 3.5401 2.6354 1.8060 1.8019 1.1048 2.9598 2.1850
H8 3.7296 2.1052 3.5400 3.9621 4.0625 3.3774 1.8060 1.8056 1.1024 2.4408 2.0972
H9 4.5034 3.6247 3.1993 3.0619 3.9622 2.9826 1.8019 1.8056 1.1015 3.3968 2.1263
C10 3.6258 2.7008 2.6355 2.9824 3.3775 2.5089 1.1048 1.1024 1.1015 2.4765 1.5039
N11 1.3002 1.3002 2.9594 3.3967 2.4406 2.4763 2.9598 2.4408 3.3968 2.4765 1.5758
N12 2.4431 2.4432 2.1850 2.1262 2.0972 1.5039 2.1850 2.0972 2.1263 1.5039 1.5758
Maximum atom distance is 4.5034Å between atoms O2 and H4.
picture of Dimethylnitroamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 N11 O2 127.598 O1 N11 N12 115.979
O2 N11 N12 115.987 C6 N12 C10 113.045
C6 N12 N11 107.013 C10 N12 N11 107.024
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H3 C6 H4 109.513 H3 C6 H5 109.820
H3 C6 N12 112.880 H4 C6 H5 110.026
H4 C6 N12 108.400 H5 C6 N12 106.133
H7 C10 H8 109.821 H7 C10 H9 109.513
H7 C10 N12 112.879 H8 C10 H9 110.025
H8 C10 N12 106.133 H9 C10 N12 108.402

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