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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=

MP2/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3160 0.5923 0.0359   0.6284 0.2362 0.0359
C2 -0.3160 -0.5923 0.0359   -0.6284 -0.2362 0.0359
N3 -0.3160 1.8512 -0.1130   1.7943 -0.5543 -0.1130
N4 0.3160 -1.8512 -0.1130   -1.7943 0.5543 -0.1130
H5 1.4001 0.6348 0.0352   0.8116 1.3056 0.0352
H6 -1.4001 -0.6348 0.0352   -0.8116 -1.3056 0.0352
H7 -1.3238 1.7636 -0.0614   1.5763 -1.5420 -0.0614
H8 1.3238 -1.7636 -0.0614   -1.5763 1.5420 -0.0614
H9 -0.0190 2.5044 0.6018   2.4806 -0.3449 0.6018
H10 0.0190 -2.5044 0.6018   -2.4806 0.3449 0.6018
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3426 1.4165 2.4480 1.0849 2.1096 2.0175 2.5642 2.0221 3.1620
C2 1.3426 2.4480 1.4165 2.1096 1.0849 2.5642 2.0175 3.1620 2.0221
N3 1.4165 2.4480 3.7559 2.1087 2.7161 1.0129 3.9697 1.0129 4.4266
N4 2.4480 1.4165 3.7559 2.7161 2.1087 3.9697 1.0129 4.4266 1.0129
H5 1.0849 2.1096 2.1087 2.7161 3.0746 2.9501 2.4016 2.4147 3.4761
H6 2.1096 1.0849 2.7161 2.1087 3.0746 2.4016 2.9501 3.4761 2.4147
H7 2.0175 2.5642 1.0129 3.9697 2.9501 2.4016 4.4103 1.6404 4.5232
H8 2.5642 2.0175 3.9697 1.0129 2.4016 2.9501 4.4103 4.5232 1.6404
H9 2.0221 3.1620 1.0129 4.4266 2.4147 3.4761 1.6404 4.5232 5.0090
H10 3.1620 2.0221 4.4266 1.0129 3.4761 2.4147 4.5232 1.6404 5.0090
Maximum atom distance is 5.0090Å 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 125.037 C2 C1 N3 125.037
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.327 C1 N3 H7 111.207
C1 N3 H9 111.605 C2 C1 H5 120.327
C2 N4 H8 111.207 C2 N4 H10 111.605
N3 C1 H5 114.264 N4 C2 H6 114.264
H7 N3 H9 108.148 H8 N4 H10 108.148

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