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Geometry for N(CH3)2CONH2 (Urea, N,N-dimethyl-) 1A C1

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

mPW1PW91/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.5600 0.7287 0.0129   2.4821 0.9609 0.0318
O2 -1.2401 -1.3571 -0.0238   1.3597 -1.2373 -0.0183
C3 -0.7587 -0.2011 -0.0056   0.7740 -0.1305 -0.0009
N4 0.5972 0.0440 -0.0130   -0.5986 -0.0110 -0.0169
H5 -1.2488 1.8501 0.0971   1.0727 1.9567 0.1095
N6 -1.5726 0.9053 0.0203   1.4826 1.0460 0.0329
H7 2.1116 -1.0805 0.9410   -2.0094 -1.2726 0.9245
H8 2.1775 -1.0816 -0.8397   -2.0633 -1.2749 -0.8567
H9 0.9059 -1.9968 0.0053   -0.7185 -2.0716 -0.0050
C10 1.5076 -1.0894 0.0267   -1.4012 -1.2234 0.0142
H11 0.7365 1.9892 -0.8349   -0.9108 1.9154 -0.8356
H12 2.2282 1.3190 -0.1822   -2.3388 1.1091 -0.1944
H13 0.9915 1.9127 0.9306   -1.1692 1.8108 0.9280
C14 1.1522 1.3856 -0.0197   -1.2745 1.2739 -0.0245
Atom - Atom Distances (Å)
  H1 O2 C3 N4 H5 N6 H7 H8 H9 C10 H11 H12 H13 C14
H1 2.4687 2.0273 3.2307 1.7274 1.0031 5.0950 5.1429 4.4093 4.4555 3.6297 4.8284 3.8545 3.7700
O2 2.4687 1.2524 2.3106 3.2095 2.2872 3.4987 3.5245 2.2395 2.7612 3.9702 4.3836 4.0721 3.6395
C3 2.0273 1.2524 1.3779 2.1114 1.3738 3.1477 3.1768 2.4486 2.4344 2.7786 3.3561 2.8996 2.4838
N4 3.2307 2.3106 1.3779 2.5849 2.3348 2.1138 2.1090 2.0641 1.4543 2.1163 2.0771 2.1302 1.4519
H5 1.7274 3.2095 2.1114 2.5849 1.0017 4.5379 4.6056 4.4102 4.0303 2.1976 3.5283 2.3911 2.4482
N6 1.0031 2.2872 1.3738 2.3348 1.0017 4.2854 4.3303 3.8165 3.6697 2.6904 3.8286 2.9014 2.7671
H7 5.0950 3.4987 3.1477 2.1138 4.5379 4.2854 1.7820 1.7801 1.0959 3.8037 2.6519 3.1958 2.8152
H8 5.1429 3.5245 3.1768 2.1090 4.6056 4.3303 1.7820 1.7801 1.0952 3.3922 2.4896 3.6751 2.7949
H9 4.4093 2.2395 2.4486 2.0641 4.4102 3.8165 1.7801 1.7801 1.0890 4.0771 3.5747 4.0184 3.3915
C10 4.4555 2.7612 2.4344 1.4543 4.0303 3.6697 1.0959 1.0952 1.0890 3.2886 2.5226 3.1774 2.5009
H11 3.6297 3.9702 2.7786 2.1163 2.1976 2.6904 3.8037 3.3922 4.0771 3.2886 1.7608 1.7855 1.0962
H12 4.8284 4.3836 3.3561 2.0771 3.5283 3.8286 2.6519 2.4896 3.5747 2.5226 1.7608 1.7664 1.0902
H13 3.8545 4.0721 2.8996 2.1302 2.3911 2.9014 3.1958 3.6751 4.0184 3.1774 1.7855 1.7664 1.0985
C14 3.7700 3.6395 2.4838 1.4519 2.4482 2.7671 2.8152 2.7949 3.3915 2.5009 1.0962 1.0902 1.0985
Maximum atom distance is 5.1429Å between atoms H1 and H8.
picture of Urea, N,N-dimethyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C3 N4 122.848 O2 C3 N6 121.058
C3 N4 C10 118.505 C3 N4 C14 122.721
N4 C3 N6 116.094 C10 N4 C14 118.750
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N6 C3 116.185 H1 N6 H5 119.005
C3 N6 H5 124.714 N4 C10 H7 111.187
N4 C10 H8 110.844 N4 C10 H9 107.636
N4 C14 H11 111.547 N4 C14 H12 108.751
N4 C14 H13 112.546 H7 C10 H8 108.836
H7 C10 H9 109.129 H8 C10 H9 109.170
H11 C14 H12 107.277 H11 C14 H13 108.892
H12 C14 H13 107.617

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