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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=

HSEh1PBE/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3145 0.5942 0.0504   0.6293 0.2365 0.0504
C2 -0.3145 -0.5942 0.0504   -0.6293 -0.2365 0.0504
N3 -0.3145 1.8395 -0.0761   1.7847 -0.5456 -0.0761
N4 0.3145 -1.8395 -0.0761   -1.7847 0.5456 -0.0761
H5 1.4022 0.6374 0.0639   0.8103 1.3098 0.0639
H6 -1.4022 -0.6374 0.0639   -0.8103 -1.3098 0.0639
H7 -1.3034 1.8668 -0.2571   1.6862 -1.5299 -0.2571
H8 1.3034 -1.8668 -0.2571   -1.6862 1.5299 -0.2571
H9 0.0611 2.6266 0.4237   2.6131 -0.2730 0.4237
H10 -0.0611 -2.6266 0.4237   -2.6131 0.2730 0.4237
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3446 1.4009 2.4370 1.0886 2.1128 2.0813 2.6700 2.0819 3.2641
C2 1.3446 2.4370 1.4009 2.1128 1.0886 2.6700 2.0813 3.2641 2.0819
N3 1.4009 2.4370 3.7324 2.1004 2.7088 1.0057 4.0481 1.0052 4.5011
N4 2.4370 1.4009 3.7324 2.7088 2.1004 4.0481 1.0057 4.5011 1.0052
H5 1.0886 2.1128 2.1004 2.7088 3.0805 2.9891 2.5266 2.4259 3.5950
H6 2.1128 1.0886 2.7088 2.1004 3.0805 2.5266 2.9891 3.5950 2.4259
H7 2.0813 2.6700 1.0057 4.0481 2.9891 2.5266 4.5536 1.7037 4.7115
H8 2.6700 2.0813 4.0481 1.0057 2.5266 2.9891 4.5536 4.7115 1.7037
H9 2.0819 3.2641 1.0052 4.5011 2.4259 3.5950 1.7037 4.7115 5.2546
H10 3.2641 2.0819 4.5011 1.0052 3.5950 2.4259 4.7115 1.7037 5.2546
Maximum atom distance is 5.2546Å 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 125.145 C2 C1 N3 125.145
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.163 C1 N3 H7 118.811
C1 N3 H9 118.908 C2 C1 H5 120.163
C2 N4 H8 118.811 C2 N4 H10 118.908
N3 C1 H5 114.486 N4 C2 H6 114.486
H7 N3 H9 115.825 H8 N4 H10 115.825

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