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Geometry for C5H5N (Pyridine) 1A1 C2V

1910171554
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H INChIKey=JUJWROOIHBZHMG-UHFFFAOYSA-N

MP2/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 1.4280   1.4280 0.0000 0.0000
C2 0.0000 0.0000 -1.3918   -1.3918 0.0000 0.0000
C3 0.0000 1.1433 0.7228   0.7228 1.1433 0.0000
C4 0.0000 -1.1433 0.7228   0.7228 -1.1433 0.0000
C5 0.0000 1.1980 -0.6744   -0.6744 1.1980 0.0000
C6 0.0000 -1.1980 -0.6744   -0.6744 -1.1980 0.0000
H7 0.0000 0.0000 -2.4782   -2.4782 0.0000 0.0000
H8 0.0000 2.0608 1.3080   1.3080 2.0608 0.0000
H9 0.0000 -2.0608 1.3080   1.3080 -2.0608 0.0000
H10 0.0000 2.1578 -1.1820   -1.1820 2.1578 0.0000
H11 0.0000 -2.1578 -1.1820   -1.1820 -2.1578 0.0000
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11
N1 2.8197 1.3433 1.3433 2.4198 2.4198 3.9061 2.0643 2.0643 3.3865 3.3865
C2 2.8197 2.4039 2.4039 1.3964 1.3964 1.0864 3.3964 3.3964 2.1680 2.1680
C3 1.3433 2.4039 2.2866 1.3983 2.7266 3.3990 1.0882 3.2571 2.1582 3.8113
C4 1.3433 2.4039 2.2866 2.7266 1.3983 3.3990 3.2571 1.0882 3.8113 2.1582
C5 2.4198 1.3964 1.3983 2.7266 2.3961 2.1653 2.1621 3.8145 1.0858 3.3941
C6 2.4198 1.3964 2.7266 1.3983 2.3961 2.1653 3.8145 2.1621 3.3941 1.0858
H7 3.9061 1.0864 3.3990 3.3990 2.1653 2.1653 4.3107 4.3107 2.5172 2.5172
H8 2.0643 3.3964 1.0882 3.2571 2.1621 3.8145 4.3107 4.1216 2.4920 4.8987
H9 2.0643 3.3964 3.2571 1.0882 3.8145 2.1621 4.3107 4.1216 4.8987 2.4920
H10 3.3865 2.1680 2.1582 3.8113 1.0858 3.3941 2.5172 2.4920 4.8987 4.3157
H11 3.3865 2.1680 3.8113 2.1582 3.3941 1.0858 2.5172 4.8987 2.4920 4.3157
Maximum atom distance is 4.8987Å between atoms H8 and H11.
picture of Pyridine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 C5 123.909 N1 C4 C6 123.909
C2 C5 C3 118.667 C2 C6 C4 118.667
C3 N1 C4 116.669 C5 C2 C6 118.178
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H8 115.803 N1 C4 H9 115.803
C2 C5 H10 121.216 C2 C6 H11 121.216
C3 C5 H10 120.117 C4 C6 H11 120.117
C5 C2 H7 120.911 C5 C3 H8 120.288
C6 C2 H7 120.911 C6 C4 H9 120.288

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