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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

B3PW91/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1344 0.7941 0.0000   0.0510 0.0000 1.3838
C2 0.2221 0.2500 1.1310   0.0893 1.1310 0.3223
C3 0.2221 0.2500 -1.1310   0.0893 -1.1310 0.3223
C4 -1.1283 0.7906 0.6730   1.2765 0.6730 -0.5183
C5 -1.1283 0.7906 -0.6730   1.2765 -0.6730 -0.5183
C6 0.2221 -1.2810 0.7803   -1.1963 0.7803 -0.5090
C7 0.2221 -1.2810 -0.7803   -1.1963 -0.7803 -0.5090
H8 1.2031 1.8862 0.0000   0.9307 0.0000 2.0344
H9 2.1389 0.3541 0.0000   -0.8640 0.0000 1.9885
H10 0.5108 0.4765 2.1591   0.1228 2.1591 0.6876
H11 0.5108 0.4765 -2.1591   0.1228 -2.1591 0.6876
H12 -1.9567 1.0198 1.3338   1.9187 1.3338 -1.0894
H13 -1.9567 1.0198 -1.3338   1.9187 -1.3338 -1.0894
H14 1.1230 -1.7632 1.1786   -2.0904 1.1786 -0.0143
H15 1.1230 -1.7632 -1.1786   -2.0904 -1.1786 -0.0143
H16 -0.6471 -1.7929 1.2044   -1.1543 1.2044 -1.5169
H17 -0.6471 -1.7929 -1.2044   -1.1543 -1.2044 -1.5169
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5516 1.5516 2.3607 2.3607 2.3974 2.3974 1.0942 1.0967 2.2696 2.2696 3.3741 3.3741 2.8159 2.8159 3.3641 3.3641
C2 1.5516 2.2620 1.5250 2.3174 1.5706 2.4489 2.2178 2.2281 1.0916 3.3104 2.3197 3.3786 2.2061 3.1935 2.2213 3.2223
C3 1.5516 2.2620 2.3174 1.5250 2.4489 1.5706 2.2178 2.2281 3.3104 1.0916 3.3786 2.3197 3.1935 2.2061 3.2223 2.2213
C4 2.3607 1.5250 2.3174 1.3461 2.4752 2.8683 2.6625 3.3643 2.2346 3.2872 1.0841 2.1832 3.4417 3.8754 2.6811 3.2297
C5 2.3607 2.3174 1.5250 1.3461 2.8683 2.4752 2.6625 3.3643 3.2872 2.2346 2.1832 1.0841 3.8754 3.4417 3.2297 2.6811
C6 2.3974 1.5706 2.4489 2.4752 2.8683 1.5607 3.4062 2.6375 2.2523 3.4369 3.2167 3.8092 1.0967 2.2094 1.0943 2.2264
C7 2.3974 2.4489 1.5706 2.8683 2.4752 1.5607 3.4062 2.6375 3.4369 2.2523 3.8092 3.2167 2.2094 1.0967 2.2264 1.0943
H8 1.0942 2.2178 2.2178 2.6625 2.6625 3.4062 3.4062 1.7953 2.6699 2.6699 3.5375 3.5375 3.8358 3.8358 4.2907 4.2907
H9 1.0967 2.2281 2.2281 3.3643 3.3643 2.6375 2.6375 1.7953 2.7069 2.7069 4.3585 4.3585 2.6276 2.6276 3.7179 3.7179
H10 2.2696 1.0916 3.3104 2.2346 3.2872 2.2523 3.4369 2.6699 2.7069 4.3181 2.6579 4.3109 2.5203 4.0658 2.7207 4.2195
H11 2.2696 3.3104 1.0916 3.2872 2.2346 3.4369 2.2523 2.6699 2.7069 4.3181 4.3109 2.6579 4.0658 2.5203 4.2195 2.7207
H12 3.3741 2.3197 3.3786 1.0841 2.1832 3.2167 3.8092 3.5375 4.3585 2.6579 4.3109 2.6676 4.1537 4.8520 3.1053 4.0086
H13 3.3741 3.3786 2.3197 2.1832 1.0841 3.8092 3.2167 3.5375 4.3585 4.3109 2.6579 2.6676 4.8520 4.1537 4.0086 3.1053
H14 2.8159 2.2061 3.1935 3.4417 3.8754 1.0967 2.2094 3.8358 2.6276 2.5203 4.0658 4.1537 4.8520 2.3572 1.7706 2.9687
H15 2.8159 3.1935 2.2061 3.8754 3.4417 2.2094 1.0967 3.8358 2.6276 4.0658 2.5203 4.8520 4.1537 2.3572 2.9687 1.7706
H16 3.3641 2.2213 3.2223 2.6811 3.2297 1.0943 2.2264 4.2907 3.7179 2.7207 4.2195 3.1053 4.0086 1.7706 2.9687 2.4089
H17 3.3641 3.2223 2.2213 3.2297 2.6811 2.2264 1.0943 4.2907 3.7179 4.2195 2.7207 4.0086 3.1053 2.9687 1.7706 2.4089
Maximum atom distance is 4.8520Å 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 100.220 C1 C2 C6 100.317
C1 C3 C5 100.220 C1 C3 C7 100.317
C2 C1 C3 93.591 C2 C4 C5 107.476
C2 C6 C7 102.901 C3 C5 C4 107.476
C3 C7 C6 102.901 C4 C2 C6 106.170
C5 C3 C7 106.170
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 117.275 C1 C3 H11 117.275
C2 C1 H8 112.764 C2 C1 H9 113.443
C2 C4 H12 124.648 C2 C6 H14 110.335
C2 C6 H16 111.682 C3 C1 H8 112.764
C3 C1 H9 113.443 C3 C5 H13 124.648
C3 C7 H15 110.335 C3 C7 H17 111.682
C4 C2 H10 116.325 C4 C5 H13 127.553
C5 C3 H11 116.325 C5 C4 H12 127.553
C6 C2 H10 114.363 C6 C7 H15 111.295
C6 C7 H17 112.803 C7 C3 H11 114.363
C7 C6 H14 111.295 C7 C6 H16 112.803
H8 C1 H9 110.054 H14 C6 H16 107.823
H15 C7 H17 107.823

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