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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/6-31G*


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 0.5610 1.2177 0.0327
N2 1.5808 1.1011 0.0381
N3 -1.4837 1.1888 -0.0200
C4 2.1279 -0.1315 -0.0100
O5 1.5052 -1.1937 -0.0606
C6 -2.1330 0.0726 -0.0312
N7 -1.5337 -1.1373 0.1064
H8 -0.5164 -1.2007 0.0648
H9 2.1718 1.9184 0.0829
H10 3.2346 -0.1148 0.0003
H11 -2.1218 1.9788 -0.0944
H12 -3.2254 0.0065 -0.1189
H13 -2.0584 -1.9711 -0.1076
Atom - Atom Distances (Å)
  H1 N2 N3 C4 O5 C6 N7 H8 H9 H10 H11 H12 H13
H1 1.0265 2.0456 2.0682 2.5914 2.9280 3.1526 2.6478 1.7573 2.9875 2.7915 3.9783 4.1291
N2 1.0265 3.0663 1.3494 2.2981 3.8542 3.8360 3.1140 1.0096 2.0530 3.8074 4.9317 4.7648
N3 2.0456 3.0663 3.8454 3.8225 1.2914 2.3301 2.5793 3.7290 4.8951 1.0182 2.1074 3.2130
C4 2.0682 1.3494 3.8454 1.2323 4.2658 3.7990 2.8533 2.0524 1.1069 4.7455 5.3561 4.5737
O5 2.5914 2.2981 3.8225 1.2323 3.8524 3.0440 2.0255 3.1859 2.0392 4.8188 4.8808 3.6477
C6 2.9280 3.8542 1.2914 4.2658 3.8524 1.3572 2.0601 4.6852 5.3710 1.9072 1.0979 2.0465
N7 3.1526 3.8360 2.3301 3.7990 3.0440 1.3572 1.0201 4.8029 4.8778 3.1774 2.0545 1.0081
H8 2.6478 3.1140 2.5793 2.8533 2.0255 2.0601 1.0201 4.1177 3.9056 3.5654 2.9715 1.7323
H9 1.7573 1.0096 3.7290 2.0524 3.1859 4.6852 4.8029 4.1177 2.2957 4.2976 5.7293 5.7496
H10 2.9875 2.0530 4.8951 1.1069 2.0392 5.3710 4.8778 3.9056 2.2957 5.7518 6.4622 5.6101
H11 2.7915 3.8074 1.0182 4.7455 4.8188 1.9072 3.1774 3.5654 4.2976 5.7518 2.2602 3.9504
H12 3.9783 4.9317 2.1074 5.3561 4.8808 1.0979 2.0545 2.9715 5.7293 6.4622 2.2602 2.2963
H13 4.1291 4.7648 3.2130 4.5737 3.6477 2.0465 1.0081 1.7323 5.7496 5.6101 3.9504 2.2963
Maximum atom distance is 6.4622Å 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.