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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

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1273 0.7909 0.0000   0.0427 0.0000 1.3764
C2 0.2230 0.2485 1.1246   0.0854 1.1246 0.3228
C3 0.2230 0.2485 -1.1246   0.0854 -1.1246 0.3228
C4 -1.1258 0.7844 0.6689   1.2735 0.6689 -0.5109
C5 -1.1258 0.7844 -0.6689   1.2735 -0.6689 -0.5109
C6 0.2230 -1.2715 0.7790   -1.1855 0.7790 -0.5111
C7 0.2230 -1.2715 -0.7790   -1.1855 -0.7790 -0.5111
H8 1.1982 1.8795 0.0000   0.9141 0.0000 2.0329
H9 2.1283 0.3495 0.0000   -0.8754 0.0000 1.9711
H10 0.5095 0.4784 2.1494   0.1204 2.1494 0.6884
H11 0.5095 0.4784 -2.1494   0.1204 -2.1494 0.6884
H12 -1.9560 1.0040 1.3267   1.9125 1.3267 -1.0845
H13 -1.9560 1.0040 -1.3267   1.9125 -1.3267 -1.0845
H14 1.1217 -1.7532 1.1713   -2.0812 1.1713 -0.0240
H15 1.1217 -1.7532 -1.1713   -2.0812 -1.1713 -0.0240
H16 -0.6421 -1.7844 1.2011   -1.1396 1.2011 -1.5158
H17 -0.6421 -1.7844 -1.2011   -1.1396 -1.2011 -1.5158
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5416 1.5416 2.3504 2.3504 2.3829 2.3829 1.0910 1.0939 2.2582 2.2582 3.3634 3.3634 2.8008 2.8008 3.3475 3.3475
C2 1.5416 2.2491 1.5213 2.3072 1.5588 2.4359 2.2082 2.2147 1.0887 3.2945 2.3151 3.3656 2.1947 3.1758 2.2106 3.2078
C3 1.5416 2.2491 2.3072 1.5213 2.4359 1.5588 2.2082 2.2147 3.2945 1.0887 3.3656 2.3151 3.1758 2.1947 3.2078 2.2106
C4 2.3504 1.5213 2.3072 1.3378 2.4614 2.8535 2.6547 3.3505 2.2271 3.2727 1.0817 2.1724 3.4269 3.8571 2.6676 3.2140
C5 2.3504 2.3072 1.5213 1.3378 2.8535 2.4614 2.6547 3.3505 3.2727 2.2271 2.1724 1.0817 3.8571 3.4269 3.2140 2.6676
C6 2.3829 1.5588 2.4359 2.4614 2.8535 1.5579 3.3892 2.6200 2.2411 3.4234 3.1978 3.7894 1.0925 2.2007 1.0907 2.2208
C7 2.3829 2.4359 1.5588 2.8535 2.4614 1.5579 3.3892 2.6200 3.4234 2.2411 3.7894 3.1978 2.2007 1.0925 2.2208 1.0907
H8 1.0910 2.2082 2.2082 2.6547 2.6547 3.3892 3.3892 1.7905 2.6566 2.6566 3.5320 3.5320 3.8177 3.8177 4.2724 4.2724
H9 1.0939 2.2147 2.2147 3.3505 3.3505 2.6200 2.6200 1.7905 2.6939 2.6939 4.3439 4.3439 2.6090 2.6090 3.6974 3.6974
H10 2.2582 1.0887 3.2945 2.2271 3.2727 2.2411 3.4234 2.6566 2.6939 4.2988 2.6517 4.2939 2.5123 4.0475 2.7103 4.2038
H11 2.2582 3.2945 1.0887 3.2727 2.2271 3.4234 2.2411 2.6566 2.6939 4.2988 4.2939 2.6517 4.0475 2.5123 4.2038 2.7103
H12 3.3634 2.3151 3.3656 1.0817 2.1724 3.1978 3.7894 3.5320 4.3439 2.6517 4.2939 2.6533 4.1350 4.8285 3.0850 3.9864
H13 3.3634 3.3656 2.3151 2.1724 1.0817 3.7894 3.1978 3.5320 4.3439 4.2939 2.6517 2.6533 4.8285 4.1350 3.9864 3.0850
H14 2.8008 2.1947 3.1758 3.4269 3.8571 1.0925 2.2007 3.8177 2.6090 2.5123 4.0475 4.1350 4.8285 2.3426 1.7643 2.9564
H15 2.8008 3.1758 2.1947 3.8571 3.4269 2.2007 1.0925 3.8177 2.6090 4.0475 2.5123 4.8285 4.1350 2.3426 2.9564 1.7643
H16 3.3475 2.2106 3.2078 2.6676 3.2140 1.0907 2.2208 4.2724 3.6974 2.7103 4.2038 3.0850 3.9864 1.7643 2.9564 2.4022
H17 3.3475 3.2078 2.2106 3.2140 2.6676 2.2208 1.0907 4.2724 3.6974 4.2038 2.7103 3.9864 3.0850 2.9564 1.7643 2.4022
Maximum atom distance is 4.8285Å 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 100.233 C1 C2 C6 100.448
C1 C3 C5 100.233 C1 C3 C7 100.448
C2 C1 C3 93.683 C2 C4 C5 107.429
C2 C6 C7 102.810 C3 C5 C4 107.429
C3 C7 C6 102.810 C4 C2 C6 106.089
C5 C3 C7 106.089
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.261 C1 C3 H11 117.261
C2 C1 H8 112.903 C2 C1 H9 113.252
C2 C4 H12 124.740 C2 C6 H14 110.506
C2 C6 H16 111.879 C3 C1 H8 112.903
C3 C1 H9 113.252 C3 C5 H13 124.740
C3 C7 H15 110.506 C3 C7 H17 111.879
C4 C2 H10 116.159 C4 C5 H13 127.452
C5 C3 H11 116.159 C5 C4 H12 127.452
C6 C2 H10 114.496 C6 C7 H15 111.048
C6 C7 H17 112.771 C7 C3 H11 114.496
C7 C6 H14 111.048 C7 C6 H16 112.771
H8 C1 H9 110.071 H14 C6 H16 107.827
H15 C7 H17 107.827

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