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Geometry for C7H10 (Norbornene) 1A' CS

1910171554
InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 INChIKey=JFNLZVQOOSMTJK-UHFFFAOYSA-N

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1234 0.7927 0.0000   0.0470 0.0000 1.3741
C2 0.2227 0.2524 1.1233   0.0890 1.1233 0.3246
C3 0.2227 0.2524 -1.1233   0.0890 -1.1233 0.3246
C4 -1.1217 0.7766 0.6728   1.2645 0.6728 -0.5123
C5 -1.1217 0.7766 -0.6728   1.2645 -0.6728 -0.5123
C6 0.2227 -1.2671 0.7765   -1.1818 0.7765 -0.5085
C7 0.2227 -1.2671 -0.7765   -1.1818 -0.7765 -0.5085
H8 1.1876 1.8821 0.0000   0.9228 0.0000 2.0251
H9 2.1247 0.3518 0.0000   -0.8707 0.0000 1.9697
H10 0.5109 0.4803 2.1487   0.1215 2.1487 0.6906
H11 0.5109 0.4803 -2.1487   0.1215 -2.1487 0.6906
H12 -1.9596 0.9771 1.3276   1.8916 1.3276 -1.1031
H13 -1.9596 0.9771 -1.3276   1.8916 -1.3276 -1.1031
H14 1.1224 -1.7465 1.1689   -2.0760 1.1689 -0.0189
H15 1.1224 -1.7465 -1.1689   -2.0760 -1.1689 -0.0189
H16 -0.6423 -1.7773 1.2014   -1.1342 1.2014 -1.5116
H17 -0.6423 -1.7773 -1.2014   -1.1342 -1.2014 -1.5116
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5379 1.5379 2.3439 2.3439 2.3785 2.3785 1.0913 1.0940 2.2561 2.2561 3.3618 3.3618 2.7953 2.7953 3.3416 3.3416
C2 1.5379 2.2467 1.5117 2.3040 1.5586 2.4328 2.2020 2.2112 1.0892 3.2926 2.3085 3.3608 2.1925 3.1716 2.2077 3.2051
C3 1.5379 2.2467 2.3040 1.5117 2.4328 1.5586 2.2020 2.2112 3.2926 1.0892 3.3608 2.3085 3.1716 2.1925 3.2051 2.2077
C4 2.3439 1.5117 2.3040 1.3457 2.4485 2.8434 2.6472 3.3425 2.2207 3.2733 1.0821 2.1781 3.4130 3.8463 2.6518 3.2040
C5 2.3439 2.3040 1.5117 1.3457 2.8434 2.4485 2.6472 3.3425 3.2733 2.2207 2.1781 1.0821 3.8463 3.4130 3.2040 2.6518
C6 2.3785 1.5586 2.4328 2.4485 2.8434 1.5530 3.3840 2.6156 2.2404 3.4196 3.1785 3.7718 1.0923 2.1963 1.0904 2.2183
C7 2.3785 2.4328 1.5586 2.8434 2.4485 1.5530 3.3840 2.6156 3.4196 2.2404 3.7718 3.1785 2.1963 1.0923 2.2183 1.0904
H8 1.0913 2.2020 2.2020 2.6472 2.6472 3.3840 3.3840 1.7944 2.6533 2.6533 3.5337 3.5337 3.8127 3.8127 4.2642 4.2642
H9 1.0940 2.2112 2.2112 3.3425 3.3425 2.6156 2.6156 1.7944 2.6903 2.6903 4.3399 4.3399 2.6026 2.6026 3.6922 3.6922
H10 2.2561 1.0892 3.2926 2.2207 3.2733 2.2404 3.4196 2.6533 2.6903 4.2974 2.6503 4.2936 2.5085 4.0421 2.7063 4.2012
H11 2.2561 3.2926 1.0892 3.2733 2.2207 3.4196 2.2404 2.6533 2.6903 4.2974 4.2936 2.6503 4.0421 2.5085 4.2012 2.7063
H12 3.3618 2.3085 3.3608 1.0821 2.1781 3.1785 3.7718 3.5337 4.3399 2.6503 4.2936 2.6553 4.1161 4.8114 3.0558 3.9646
H13 3.3618 3.3608 2.3085 2.1781 1.0821 3.7718 3.1785 3.5337 4.3399 4.2936 2.6503 2.6553 4.8114 4.1161 3.9646 3.0558
H14 2.7953 2.1925 3.1716 3.4130 3.8463 1.0923 2.1963 3.8127 2.6026 2.5085 4.0421 4.1161 4.8114 2.3378 1.7653 2.9552
H15 2.7953 3.1716 2.1925 3.8463 3.4130 2.1963 1.0923 3.8127 2.6026 4.0421 2.5085 4.8114 4.1161 2.3378 2.9552 1.7653
H16 3.3416 2.2077 3.2051 2.6518 3.2040 1.0904 2.2183 4.2642 3.6922 2.7063 4.2012 3.0558 3.9646 1.7653 2.9552 2.4029
H17 3.3416 3.2051 2.2077 3.2040 2.6518 2.2183 1.0904 4.2642 3.6922 4.2012 2.7063 3.9646 3.0558 2.9552 1.7653 2.4029
Maximum atom distance is 4.8114Å between atoms H12 and H15.
picture of Norbornene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 100.448 C1 C2 C6 100.369
C1 C3 C5 100.448 C1 C3 C7 100.369
C2 C1 C3 93.846 C2 C4 C5 107.339
C2 C6 C7 102.857 C3 C5 C4 107.339
C3 C7 C6 102.857 C4 C2 C6 105.771
C5 C3 C7 105.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.333 C1 C3 H11 117.333
C2 C1 H8 112.655 C2 C1 H9 113.231
C2 C4 H12 124.925 C2 C6 H14 110.358
C2 C6 H16 111.680 C3 C1 H8 112.655
C3 C1 H9 113.231 C3 C5 H13 124.925
C3 C7 H15 110.358 C3 C7 H17 111.680
C4 C2 H10 116.314 C4 C5 H13 127.237
C5 C3 H11 116.314 C5 C4 H12 127.237
C6 C2 H10 114.423 C6 C7 H15 111.050
C6 C7 H17 112.934 C7 C3 H11 114.423
C7 C6 H14 111.050 C7 C6 H16 112.934
H8 C1 H9 110.392 H14 C6 H16 107.945
H15 C7 H17 107.945

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