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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

B3LYPultrafine_cp/6-31G*


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 0.4613 1.2163 0.0193
N2 1.4940 1.1047 0.0179
N3 -1.4306 1.1820 -0.0046
C4 2.0599 -0.1129 -0.0070
O5 1.4603 -1.1885 -0.0305
C6 -2.0650 0.0582 -0.0211
N7 -1.4509 -1.1415 0.0648
H8 -0.4260 -1.2014 0.0375
H9 2.0825 1.9248 0.0399
H10 3.1667 -0.0861 -0.0059
H11 -2.0838 1.9613 -0.0510
H12 -3.1583 -0.0119 -0.0858
H13 -1.9828 -1.9831 -0.0873
Atom - Atom Distances (Å)
  H1 N2 N3 C4 O5 C6 N7 H8 H9 H10 H11 H12 H13
H1 1.0387 1.8924 2.0792 2.6045 2.7794 3.0361 2.5754 1.7694 3.0026 2.6529 3.8237 4.0275
N2 1.0387 2.9257 1.3429 2.2940 3.7099 3.7041 3.0008 1.0096 2.0534 3.6796 4.7855 4.6512
N3 1.8924 2.9257 3.7230 3.7386 1.2906 2.3247 2.5868 3.5911 4.7689 1.0179 2.1016 3.2139
C4 2.0792 1.3429 3.7230 1.2317 4.1285 3.6591 2.7142 2.0383 1.1071 4.6341 5.2198 4.4551
O5 2.6045 2.2940 3.7386 1.2317 3.7393 2.9131 1.8876 3.1756 2.0317 4.7416 4.7664 3.5340
C6 2.7794 3.7099 1.2906 4.1285 3.7393 1.3505 2.0680 4.5486 5.2337 1.9035 1.0974 2.0440
N7 3.0361 3.7041 2.3247 3.6591 2.9131 1.3505 1.0270 4.6784 4.7372 3.1689 2.0528 1.0071
H8 2.5754 3.0008 2.5868 2.7142 1.8876 2.0680 1.0270 4.0082 3.7621 3.5720 2.9826 1.7465
H9 1.7694 1.0096 3.5911 2.0383 3.1756 4.5486 4.6784 4.0082 2.2849 4.1675 5.5886 5.6404
H10 3.0026 2.0534 4.7689 1.1071 2.0317 5.2337 4.7372 3.7621 2.2849 5.6357 6.3259 5.4884
H11 2.6529 3.6796 1.0179 4.6341 4.7416 1.9035 3.1689 3.5720 4.1675 5.6357 2.2470 3.9459
H12 3.8237 4.7855 2.1016 5.2198 4.7664 1.0974 2.0528 2.9826 5.5886 6.3259 2.2470 2.2951
H13 4.0275 4.6512 3.2139 4.4551 3.5340 2.0440 1.0071 1.7465 5.6404 5.4884 3.9459 2.2951
Maximum atom distance is 6.3259Å 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.