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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

CISD/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1390 0.8049 0.0000   0.0429 0.0000 1.3941
C2 0.2272 0.2535 1.1387   0.0861 1.1387 0.3293
C3 0.2272 0.2535 -1.1387   0.0861 -1.1387 0.3293
C4 -1.1386 0.7780 0.6677   1.2770 0.6677 -0.5203
C5 -1.1386 0.7780 -0.6677   1.2770 -0.6677 -0.5203
C6 0.2272 -1.2809 0.7880   -1.1937 0.7880 -0.5173
C7 0.2272 -1.2809 -0.7880   -1.1937 -0.7880 -0.5173
H8 1.1900 1.8921 0.0000   0.9215 0.0000 2.0364
H9 2.1379 0.3665 0.0000   -0.8739 0.0000 1.9853
H10 0.5067 0.4886 2.1605   0.1280 2.1605 0.6922
H11 0.5067 0.4886 -2.1605   0.1280 -2.1605 0.6922
H12 -1.9635 1.0072 1.3229   1.9233 1.3229 -1.0819
H13 -1.9635 1.0072 -1.3229   1.9233 -1.3229 -1.0819
H14 1.1268 -1.7604 1.1753   -2.0899 1.1753 -0.0315
H15 1.1268 -1.7604 -1.1753   -2.0899 -1.1753 -0.0315
H16 -0.6455 -1.7827 1.2015   -1.1306 1.2015 -1.5219
H17 -0.6455 -1.7827 -1.2015   -1.1306 -1.2015 -1.5219
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5596 1.5596 2.3736 2.3736 2.4090 2.4090 1.0884 1.0909 2.2733 2.2733 3.3788 3.3788 2.8217 2.8217 3.3651 3.3651
C2 1.5596 2.2775 1.5369 2.3245 1.5740 2.4631 2.2156 2.2272 1.0851 3.3194 2.3240 3.3803 2.2060 3.1968 2.2162 3.2225
C3 1.5596 2.2775 2.3245 1.5369 2.4631 1.5740 2.2156 2.2272 3.3194 1.0851 3.3803 2.3240 3.1968 2.2060 3.2225 2.2162
C4 2.3736 1.5369 2.3245 1.3354 2.4736 2.8677 2.6663 3.3690 2.2403 3.2847 1.0781 2.1669 3.4399 3.8693 2.6618 3.2084
C5 2.3736 2.3245 1.5369 1.3354 2.8677 2.4736 2.6663 3.3690 3.2847 2.2403 2.1669 1.0781 3.8693 3.4399 3.2084 2.6618
C6 2.4090 1.5740 2.4631 2.4736 2.8677 1.5760 3.4083 2.6431 2.2568 3.4501 3.2125 3.8066 1.0905 2.2122 1.0883 2.2297
C7 2.4090 2.4631 1.5740 2.8677 2.4736 1.5760 3.4083 2.6431 3.4501 2.2568 3.8066 3.2125 2.2122 1.0905 2.2297 1.0883
H8 1.0884 2.2156 2.2156 2.6663 2.6663 3.4083 3.4083 1.7961 2.6654 2.6654 3.5323 3.5323 3.8375 3.8375 4.2798 4.2798
H9 1.0909 2.2272 2.2272 3.3690 3.3690 2.6431 2.6431 1.7961 2.7099 2.7099 4.3568 4.3568 2.6320 2.6320 3.7162 3.7162
H10 2.2733 1.0851 3.3194 2.2403 3.2847 2.2568 3.4501 2.6654 2.7099 4.3210 2.6594 4.3017 2.5324 4.0706 2.7214 4.2178
H11 2.2733 3.3194 1.0851 3.2847 2.2403 3.4501 2.2568 2.6654 2.7099 4.3210 4.3017 2.6594 4.0706 2.5324 4.2178 2.7214
H12 3.3788 2.3240 3.3803 1.0781 2.1669 3.2125 3.8066 3.5323 4.3568 2.6594 4.3017 2.6457 4.1510 4.8425 3.0879 3.9866
H13 3.3788 3.3803 2.3240 2.1669 1.0781 3.8066 3.2125 3.5323 4.3568 4.3017 2.6594 2.6457 4.8425 4.1510 3.9866 3.0879
H14 2.8217 2.2060 3.1968 3.4399 3.8693 1.0905 2.2122 3.8375 2.6320 2.5324 4.0706 4.1510 4.8425 2.3506 1.7727 2.9650
H15 2.8217 3.1968 2.2060 3.8693 3.4399 2.2122 1.0905 3.8375 2.6320 4.0706 2.5324 4.8425 4.1510 2.3506 2.9650 1.7727
H16 3.3651 2.2162 3.2225 2.6618 3.2084 1.0883 2.2297 4.2798 3.7162 2.7214 4.2178 3.0879 3.9866 1.7727 2.9650 2.4031
H17 3.3651 3.2225 2.2162 3.2084 2.6618 2.2297 1.0883 4.2798 3.7162 4.2178 2.7214 3.9866 3.0879 2.9650 1.7727 2.4031
Maximum atom distance is 4.8425Å 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 100.085 C1 C2 C6 100.486
C1 C3 C5 100.085 C1 C3 C7 100.486
C2 C1 C3 93.798 C2 C4 C5 107.847
C2 C6 C7 102.876 C3 C5 C4 107.847
C3 C7 C6 102.876 C4 C2 C6 105.332
C5 C3 C7 105.332
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.407 C1 C3 H11 117.407
C2 C1 H8 112.370 C2 C1 H9 113.159
C2 C4 H12 124.487 C2 C6 H14 110.453
C2 C6 H16 111.392 C3 C1 H8 112.370
C3 C1 H9 113.159 C3 C5 H13 124.487
C3 C7 H15 110.453 C3 C7 H17 111.392
C4 C2 H10 116.330 C4 C5 H13 127.425
C5 C3 H11 116.330 C5 C4 H12 127.425
C6 C2 H10 114.902 C6 C7 H15 110.804
C6 C7 H17 112.334 C7 C3 H11 114.902
C7 C6 H14 110.804 C7 C6 H16 112.334
H8 C1 H9 111.012 H14 C6 H16 108.898
H15 C7 H17 108.898

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