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Geometry for C4H4N2 (Pyridazine) 1A1 C2V

1910171554
InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H INChIKey=PBMFSQRYOILNGV-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6961 1.1879   1.1879 0.6961 0.0000
C2 0.0000 -0.6961 1.1879   1.1879 -0.6961 0.0000
C3 0.0000 -1.3281 -0.0658   -0.0658 -1.3281 0.0000
C4 0.0000 1.3281 -0.0658   -0.0658 1.3281 0.0000
H5 0.0000 1.2796 2.1141   2.1141 1.2796 0.0000
H6 0.0000 -1.2796 2.1141   2.1141 -1.2796 0.0000
H7 0.0000 -2.4210 -0.1519   -0.1519 -2.4210 0.0000
H8 0.0000 2.4210 -0.1519   -0.1519 2.4210 0.0000
N9 0.0000 0.6724 -1.2421   -1.2421 0.6724 0.0000
N10 0.0000 -0.6724 -1.2421   -1.2421 -0.6724 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 N9 N10
C1 1.3923 2.3810 1.4040 1.0947 2.1821 3.3929 2.1841 2.4302 2.7889
C2 1.3923 1.4040 2.3810 2.1821 1.0947 2.1841 3.3929 2.7889 2.4302
C3 2.3810 1.4040 2.6561 3.3988 2.1804 1.0964 3.7501 2.3207 1.3468
C4 1.4040 2.3810 2.6561 2.1804 3.3988 3.7501 1.0964 1.3468 2.3207
H5 1.0947 2.1821 3.3988 2.1804 2.5593 4.3393 2.5372 3.4107 3.8826
H6 2.1821 1.0947 2.1804 3.3988 2.5593 2.5372 4.3393 3.8826 3.4107
H7 3.3929 2.1841 1.0964 3.7501 4.3393 2.5372 4.8421 3.2799 2.0607
H8 2.1841 3.3929 3.7501 1.0964 2.5372 4.3393 4.8421 2.0607 3.2799
N9 2.4302 2.7889 2.3207 1.3468 3.4107 3.8826 3.2799 2.0607 1.3447
N10 2.7889 2.4302 1.3468 2.3207 3.8826 3.4107 2.0607 3.2799 1.3447
Maximum atom distance is 4.8421Å between atoms H7 and H8.
picture of Pyridazine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 116.750 C1 C4 N9 124.115
C2 C1 C4 116.750 C2 C3 N10 124.115
C3 N10 N9 119.135 C4 N9 N10 119.135
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.211 C1 C4 H8 121.255
C2 C1 H5 122.211 C2 C3 H7 121.255
C3 C2 H6 121.039 C4 C1 H5 121.039
H7 C3 N10 114.630 H8 C4 N9 114.630

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