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Geometry for H2NCHCHNH2 (diaminoethylene) 1A C2

1910171554
InChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2/b2-1+ INChIKey=

B2PLYP/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3138 0.5924 0.0366   0.5470 0.3876 0.0366
C2 -0.3138 -0.5924 0.0366   -0.5470 -0.3876 0.0366
N3 -0.3138 1.8540 -0.1127   1.8790 -0.0721 -0.1127
N4 0.3138 -1.8540 -0.1127   -1.8790 0.0721 -0.1127
H5 1.4010 0.6394 0.0373   0.4534 1.4718 0.0373
H6 -1.4010 -0.6394 0.0373   -0.4534 -1.4718 0.0373
H7 -1.3256 1.7770 -0.0636   1.9331 -1.0853 -0.0636
H8 1.3256 -1.7770 -0.0636   -1.9331 1.0853 -0.0636
H9 -0.0089 2.5158 0.5955   2.4960 0.3156 0.5955
H10 0.0089 -2.5158 0.5955   -2.4960 -0.3156 0.5955
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3408 1.4169 2.4510 1.0882 2.1114 2.0250 2.5783 2.0288 3.1728
C2 1.3408 2.4510 1.4169 2.1114 1.0882 2.5783 2.0250 3.1728 2.0288
N3 1.4169 2.4510 3.7607 2.1067 2.7243 1.0159 3.9842 1.0161 4.4386
N4 2.4510 1.4169 3.7607 2.7243 2.1067 3.9842 1.0159 4.4386 1.0161
H5 1.0882 2.1114 2.1067 2.7243 3.0801 2.9561 2.4197 2.4125 3.4936
H6 2.1114 1.0882 2.7243 2.1067 3.0801 2.4197 2.9561 3.4936 2.4125
H7 2.0250 2.5783 1.0159 3.9842 2.9561 2.4197 4.4338 1.6474 4.5435
H8 2.5783 2.0250 3.9842 1.0159 2.4197 2.9561 4.4338 4.5435 1.6474
H9 2.0288 3.1728 1.0161 4.4386 2.4125 3.4936 1.6474 4.5435 5.0317
H10 3.1728 2.0288 4.4386 1.0161 3.4936 2.4125 4.5435 1.6474 5.0317
Maximum atom distance is 5.0317Å between atoms H9 and H10.
picture of diaminoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 125.415 C2 C1 N3 125.415
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.382 C1 N3 H7 111.624
C1 N3 H9 111.938 C2 C1 H5 120.382
C2 N4 H8 111.624 C2 N4 H10 111.938
N3 C1 H5 113.838 N4 C2 H6 113.838
H7 N3 H9 108.335 H8 N4 H10 108.335

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