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Geometry for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-) 1A C2

1910171554
InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) INChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N

CBS-Q


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0969   0.0000 0.0969 0.0000
O2 0.0000 0.0000 1.2948   0.0000 1.2948 0.0000
N3 0.0000 1.1504 -0.6494   1.1472 -0.6494 0.0860
N4 0.0000 -1.1504 -0.6494   -1.1472 -0.6494 -0.0860
C5 -0.2102 2.4229 0.0148   2.4318 0.0148 -0.0284
C6 0.2102 -2.4229 0.0148   -2.4318 0.0148 0.0284
H7 -0.3777 1.0788 -1.5654   1.1040 -1.5654 -0.2960
H8 0.3777 -1.0788 -1.5654   -1.1040 -1.5654 0.2960
H9 0.0057 3.2204 -0.6902   3.2109 -0.6902 0.2465
H10 -0.0057 -3.2204 -0.6902   -3.2109 -0.6902 -0.2465
H11 0.4867 2.4947 0.8383   2.4513 0.8383 0.6719
H12 -0.4867 -2.4947 0.8383   -2.4513 0.8383 -0.6719
H13 -1.2184 2.5551 0.4044   2.6391 0.4044 -1.0239
H14 1.2184 -2.5551 0.4044   -2.6391 0.4044 1.0239
Atom - Atom Distances (Å)
  C1 O2 N3 N4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14
C1 1.1979 1.3713 1.3713 2.4334 2.4334 2.0173 2.0173 3.3152 3.3152 2.6477 2.6477 2.8474 2.8474
O2 1.1979 2.2591 2.2591 2.7483 2.7483 3.0801 3.0801 3.7830 3.7830 2.5824 2.5824 2.9675 2.9675
N3 1.3713 2.2591 2.3008 1.4507 3.6406 0.9933 2.4394 2.0704 4.3710 2.0633 3.9670 2.1373 4.0405
N4 1.3713 2.2591 2.3008 3.6406 1.4507 2.4394 0.9933 4.3710 2.0704 3.9670 2.0633 4.0405 2.1373
C5 2.4334 2.7483 1.4507 3.6406 4.8640 2.0812 3.8864 1.0861 5.6908 1.0812 4.9937 1.0889 5.1936
C6 2.4334 2.7483 3.6406 1.4507 4.8640 3.8864 2.0812 5.6908 1.0861 4.9937 1.0812 5.1936 1.0889
H7 2.0173 3.0801 0.9933 2.4394 2.0812 3.8864 2.2860 2.3451 4.4031 2.9206 4.3081 2.6012 4.4309
H8 2.0173 3.0801 2.4394 0.9933 3.8864 2.0812 2.2860 4.4031 2.3451 4.3081 2.9206 4.4309 2.6012
H9 3.3152 3.7830 2.0704 4.3710 1.0861 5.6908 2.3451 4.4031 6.4408 1.7590 5.9364 1.7717 6.0021
H10 3.3152 3.7830 4.3710 2.0704 5.6908 1.0861 4.4031 2.3451 6.4408 5.9364 1.7590 6.0021 1.7717
H11 2.6477 2.5824 2.0633 3.9670 1.0812 4.9937 2.9206 4.3081 1.7590 5.9364 5.0835 1.7605 5.1209
H12 2.6477 2.5824 3.9670 2.0633 4.9937 1.0812 4.3081 2.9206 5.9364 1.7590 5.0835 5.1209 1.7605
H13 2.8474 2.9675 2.1373 4.0405 1.0889 5.1936 2.6012 4.4309 1.7717 6.0021 1.7605 5.1209 5.6615
H14 2.8474 2.9675 4.0405 2.1373 5.1936 1.0889 4.4309 2.6012 6.0021 1.7717 5.1209 1.7605 5.6615
Maximum atom distance is 6.4408Å between atoms H9 and H10.
picture of Urea, N,N'-dimethyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C5 119.121 C1 N4 C6 119.121
O2 C1 N3 122.974 O2 C1 N4 122.974
N3 C1 N4 114.052
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H7 116.191 C1 N4 H8 116.191
N3 C5 H9 108.547 N3 C5 H11 108.276
N3 C5 H13 113.855 N4 C6 H10 108.547
N4 C6 H12 108.276 N4 C6 H14 113.855
C5 N3 H7 115.488 C6 N4 H8 115.488
H9 C5 H11 108.514 H9 C5 H13 109.092
H10 C6 H12 108.514 H10 C6 H14 109.092
H11 C5 H13 108.436 H12 C6 H14 108.436

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