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Geometry for HCONH2CN2H4 (formamide aminomethanimine dimer) 1A C1

1910171554
InChI=1S/C2H7N3O/c1-3-7-5-2-6-8-4-1/h1-5H/b3-1- INChIKey=QJIDZIDMDYHMLH-IWQZZHSRSA-N

MP2_cp/3-21G


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
H1 -0.0262 -1.2934 0.0000
N2 -1.0498 -1.5168 0.0000
N3 1.6923 -0.7081 0.0000
C4 -1.9696 -0.5245 0.0000
O5 -1.7291 0.7189 0.0000
C6 1.9632 0.5732 0.0000
N7 0.9977 1.5322 0.0000
H8 0.0000 1.2730 0.0000
H9 -1.3581 -2.4814 0.0000
H10 -3.0094 -0.8863 0.0000
H11 2.5431 -1.2857 0.0000
H12 2.9835 0.9711 0.0000
H13 1.2566 2.5082 0.0000
Atom - Atom Distances (Å)
  H1 N2 N3 C4 O5 C6 N7 H8 H9 H10 H11 H12 H13
H1 1.0477 1.8154 2.0900 2.6361 2.7280 3.0054 2.5665 1.7847 3.0109 2.5694 3.7665 4.0122
N2 1.0477 2.8589 1.3530 2.3366 3.6670 3.6727 2.9807 1.0126 2.0585 3.6004 4.7389 4.6389
N3 1.8154 2.8589 3.6665 3.7070 1.3097 2.3455 2.6055 3.5283 4.7050 1.0284 2.1183 3.2457
C4 2.0900 1.3530 3.6665 1.2664 4.0831 3.6104 2.6665 2.0502 1.1010 4.5765 5.1740 4.4278
O5 2.6361 2.3366 3.7070 1.2664 3.6952 2.8455 1.8157 3.2217 2.0533 4.7191 4.7193 3.4807
C6 2.7280 3.6670 1.3097 4.0831 3.6952 1.3608 2.0842 4.5124 5.1824 1.9473 1.0951 2.0600
N7 3.0054 3.6727 2.3455 3.6104 2.8455 1.3608 1.0308 4.6538 4.6804 3.2139 2.0635 1.0098
H8 2.5665 2.9807 2.6055 2.6665 1.8157 2.0842 1.0308 3.9924 3.7039 3.6076 2.9987 1.7620
H9 1.7847 1.0126 3.5283 2.0502 3.2217 4.5124 4.6538 3.9924 2.2959 4.0803 5.5470 5.6331
H10 3.0109 2.0585 4.7050 1.1010 2.0533 5.1824 4.6804 3.7039 2.2959 5.5669 6.2741 5.4517
H11 2.5694 3.6004 1.0284 4.5765 4.7191 1.9473 3.2139 3.6076 4.0803 5.5669 2.2994 4.0061
H12 3.7665 4.7389 2.1183 5.1740 4.7193 1.0951 2.0635 2.9987 5.5470 6.2741 2.2994 2.3119
H13 4.0122 4.6389 3.2457 4.4278 3.4807 2.0600 1.0098 1.7620 5.6331 5.4517 4.0061 2.3119
Maximum atom distance is 6.2741Å between atoms H10 and H12.
picture of formamide aminomethanimine dimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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