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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=

M06-2X/daug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3147 0.5900 0.0305   0.5444 0.3882 0.0305
C2 -0.3147 -0.5900 0.0305   -0.5444 -0.3882 0.0305
N3 -0.3147 1.8496 -0.1068   1.8748 -0.0735 -0.1068
N4 0.3147 -1.8496 -0.1068   -1.8748 0.0735 -0.1068
H5 1.4056 0.6309 0.0318   0.4444 1.4752 0.0318
H6 -1.4056 -0.6309 0.0318   -0.4444 -1.4752 0.0318
H7 -1.3253 1.7809 -0.0456   1.9370 -1.0846 -0.0456
H8 1.3253 -1.7809 -0.0456   -1.9370 1.0846 -0.0456
H9 0.0125 2.5221 0.5788   2.4995 0.3377 0.5788
H10 -0.0125 -2.5221 0.5788   -2.4995 -0.3377 0.5788
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3373 1.4149 2.4435 1.0916 2.1095 2.0283 2.5784 2.0311 3.1769
C2 1.3373 2.4435 1.4149 2.1095 1.0916 2.5784 2.0283 3.1769 2.0311
N3 1.4149 2.4435 3.7524 2.1128 2.7134 1.0148 3.9843 1.0146 4.4355
N4 2.4435 1.4149 3.7524 2.7134 2.1128 3.9843 1.0148 4.4355 1.0146
H5 1.0916 2.1095 2.1128 2.7134 3.0814 2.9642 2.4144 2.4117 3.5003
H6 2.1095 1.0916 2.7134 2.1128 3.0814 2.4144 2.9642 3.5003 2.4117
H7 2.0283 2.5784 1.0148 3.9843 2.9642 2.4144 4.4399 1.6520 4.5420
H8 2.5784 2.0283 3.9843 1.0148 2.4144 2.9642 4.4399 4.5420 1.6520
H9 2.0311 3.1769 1.0146 4.4355 2.4117 3.5003 1.6520 4.5420 5.0443
H10 3.1769 2.0311 4.4355 1.0146 3.5003 2.4117 4.5420 1.6520 5.0443
Maximum atom distance is 5.0443Å 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 125.178 C2 C1 N3 125.178
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.230 C1 N3 H7 112.143
C1 N3 H9 112.400 C2 C1 H5 120.230
C2 N4 H8 112.143 C2 N4 H10 112.400
N3 C1 H5 114.285 N4 C2 H6 114.285
H7 N3 H9 108.987 H8 N4 H10 108.987

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