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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

M06-2X/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1274 0.7910 0.0000   0.6172 0.9435 0.7910
C2 0.2230 0.2513 1.1244   1.0631 -0.4289 0.2513
C3 0.2230 0.2513 -1.1244   -0.8189 0.8022 0.2513
C4 -1.1249 0.7805 0.6670   -0.0576 -1.3065 0.7805
C5 -1.1249 0.7805 -0.6670   -1.1740 -0.5762 0.7805
C6 0.2230 -1.2705 0.7773   0.7726 -0.2389 -1.2705
C7 0.2230 -1.2705 -0.7773   -0.5284 0.6122 -1.2705
H8 1.1979 1.8793 0.0000   0.6558 1.0024 1.8793
H9 2.1258 0.3445 0.0000   1.1637 1.7789 0.3445
H10 0.5088 0.4805 2.1495   2.0774 -0.7509 0.4805
H11 0.5088 0.4805 -2.1495   -1.5202 1.6025 0.4805
H12 -1.9602 0.9946 1.3215   0.0328 -2.3639 0.9946
H13 -1.9602 0.9946 -1.3215   -2.1790 -0.9170 0.9946
H14 1.1230 -1.7476 1.1714   1.5951 0.2985 -1.7476
H15 1.1230 -1.7476 -1.1714   -0.3655 1.5810 -1.7476
H16 -0.6424 -1.7808 1.2008   0.6532 -1.1949 -1.7808
H17 -0.6424 -1.7808 -1.2008   -1.3565 0.1198 -1.7808
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5406 1.5406 2.3490 2.3490 2.3816 2.3816 1.0905 1.0937 2.2582 2.2582 3.3647 3.3647 2.7959 2.7959 3.3449 3.3449
C2 1.5406 2.2489 1.5186 2.3035 1.5609 2.4357 2.2057 2.2121 1.0886 3.2944 2.3147 3.3618 2.1927 3.1744 2.2101 3.2070
C3 1.5406 2.2489 2.3035 1.5186 2.4357 1.5609 2.2057 2.2121 3.2944 1.0886 3.3618 2.3147 3.1744 2.1927 3.2070 2.2101
C4 2.3490 1.5186 2.3035 1.3341 2.4568 2.8478 2.6547 3.3469 2.2264 3.2699 1.0826 2.1675 3.4204 3.8502 2.6605 3.2066
C5 2.3490 2.3035 1.5186 1.3341 2.8478 2.4568 2.6547 3.3469 3.2699 2.2264 2.1675 1.0826 3.8502 3.4204 3.2066 2.6605
C6 2.3816 1.5609 2.4357 2.4568 2.8478 1.5546 3.3876 2.6140 2.2429 3.4226 3.1927 3.7818 1.0922 2.1989 1.0903 2.2186
C7 2.3816 2.4357 1.5609 2.8478 2.4568 1.5546 3.3876 2.6140 3.4226 2.2429 3.7818 3.1927 2.1989 1.0922 2.2186 1.0903
H8 1.0905 2.2057 2.2057 2.6547 2.6547 3.3876 3.3876 1.7934 2.6555 2.6555 3.5359 3.5359 3.8121 3.8121 4.2690 4.2690
H9 1.0937 2.2121 2.2121 3.3469 3.3469 2.6140 2.6140 1.7934 2.6932 2.6932 4.3433 4.3433 2.5990 2.5990 3.6907 3.6907
H10 2.2582 1.0886 3.2944 2.2264 3.2699 2.2429 3.4226 2.6555 2.6932 4.2990 2.6545 4.2905 2.5096 4.0460 2.7090 4.2028
H11 2.2582 3.2944 1.0886 3.2699 2.2264 3.4226 2.2429 2.6555 2.6932 4.2990 4.2905 2.6545 4.0460 2.5096 4.2028 2.7090
H12 3.3647 2.3147 3.3618 1.0826 2.1675 3.1927 3.7818 3.5359 4.3433 2.6545 4.2905 2.6430 4.1290 4.8208 3.0748 3.9751
H13 3.3647 3.3618 2.3147 2.1675 1.0826 3.7818 3.1927 3.5359 4.3433 4.2905 2.6545 2.6430 4.8208 4.1290 3.9751 3.0748
H14 2.7959 2.1927 3.1744 3.4204 3.8502 1.0922 2.1989 3.8121 2.5990 2.5096 4.0460 4.1290 4.8208 2.3428 1.7659 2.9572
H15 2.7959 3.1744 2.1927 3.8502 3.4204 2.1989 1.0922 3.8121 2.5990 4.0460 2.5096 4.8208 4.1290 2.3428 2.9572 1.7659
H16 3.3449 2.2101 3.2070 2.6605 3.2066 1.0903 2.2186 4.2690 3.6907 2.7090 4.2028 3.0748 3.9751 1.7659 2.9572 2.4016
H17 3.3449 3.2070 2.2101 3.2066 2.6605 2.2186 1.0903 4.2690 3.6907 4.2028 2.7090 3.9751 3.0748 2.9572 1.7659 2.4016
Maximum atom distance is 4.8208Å 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 100.320 C1 C2 C6 100.325
C1 C3 C5 100.320 C1 C3 C7 100.325
C2 C1 C3 93.748 C2 C4 C5 107.530
C2 C6 C7 102.849 C3 C5 C4 107.530
C3 C7 C6 102.849 C4 C2 C6 105.829
C5 C3 C7 105.829
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.348 C1 C3 H11 117.348
C2 C1 H8 112.800 C2 C1 H9 113.133
C2 C4 H12 124.869 C2 C6 H14 110.221
C2 C6 H16 111.713 C3 C1 H8 112.800
C3 C1 H9 113.133 C3 C5 H13 124.869
C3 C7 H15 110.221 C3 C7 H17 111.713
C4 C2 H10 116.317 C4 C5 H13 127.198
C5 C3 H11 116.317 C5 C4 H12 127.198
C6 C2 H10 114.498 C6 C7 H15 111.152
C6 C7 H17 112.856 C7 C3 H11 114.498
C7 C6 H14 111.152 C7 C6 H16 112.856
H8 C1 H9 110.390 H14 C6 H16 108.026
H15 C7 H17 108.026

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