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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

PBEPBEultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1303 0.7992 0.0000   0.6154 0.9480 0.7992
C2 0.2241 0.2524 1.1300   1.0698 -0.4273 0.2524
C3 0.2241 0.2524 -1.1300   -0.8258 0.8032 0.2524
C4 -1.1292 0.7845 0.6764   -0.0475 -1.3155 0.7845
C5 -1.1292 0.7845 -0.6764   -1.1822 -0.5789 0.7845
C6 0.2241 -1.2774 0.7799   0.7762 -0.2367 -1.2774
C7 0.2241 -1.2774 -0.7799   -0.5322 0.6126 -1.2774
H8 1.1956 1.9049 0.0000   0.6510 1.0028 1.9049
H9 2.1499 0.3593 0.0000   1.1706 1.8033 0.3593
H10 0.5165 0.4817 2.1715   2.1026 -0.7491 0.4817
H11 0.5165 0.4817 -2.1715   -1.5401 1.6156 0.4817
H12 -1.9782 0.9934 1.3425   0.0489 -2.3902 0.9934
H13 -1.9782 0.9934 -1.3425   -2.2032 -0.9282 0.9934
H14 1.1359 -1.7642 1.1831   1.6108 0.3086 -1.7642
H15 1.1359 -1.7642 -1.1831   -0.3738 1.5969 -1.7642
H16 -0.6515 -1.7976 1.2149   0.6643 -1.2080 -1.7976
H17 -0.6515 -1.7976 -1.2149   -1.3738 0.1150 -1.7976
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.5482 1.5482 2.3586 2.3586 2.3962 2.3962 1.1077 1.1105 2.2788 2.2788 3.3916 3.3916 2.8232 2.8232 3.3756 3.3756
C2 1.5482 2.2600 1.5232 2.3190 1.5694 2.4471 2.2252 2.2354 1.1058 3.3223 2.3333 3.3930 2.2138 3.2013 2.2309 3.2355
C3 1.5482 2.2600 2.3190 1.5232 2.4471 1.5694 2.2252 2.2354 3.3223 1.1058 3.3930 2.3333 3.2013 2.2138 3.2355 2.2309
C4 2.3586 1.5232 2.3190 1.3528 2.4685 2.8642 2.6679 3.3751 2.2440 3.3031 1.0991 2.2001 3.4472 3.8838 2.6806 3.2362
C5 2.3586 2.3190 1.5232 1.3528 2.8642 2.4685 2.6679 3.3751 3.3031 2.2440 2.2001 1.0991 3.8838 3.4472 3.2362 2.6806
C6 2.3962 1.5694 2.4471 2.4685 2.8642 1.5599 3.4175 2.6450 2.2620 3.4483 3.2130 3.8094 1.1094 2.2185 1.1075 2.2398
C7 2.3962 2.4471 1.5694 2.8642 2.4685 1.5599 3.4175 2.6450 3.4483 2.2620 3.8094 3.2130 2.2185 1.1094 2.2398 1.1075
H8 1.1077 2.2252 2.2252 2.6679 2.6679 3.4175 3.4175 1.8165 2.6836 2.6836 3.5646 3.5646 3.8556 3.8556 4.3124 4.3124
H9 1.1105 2.2354 2.2354 3.3751 3.3751 2.6450 2.6450 1.8165 2.7200 2.7200 4.3870 4.3870 2.6338 2.6338 3.7385 3.7385
H10 2.2788 1.1058 3.3223 2.2440 3.3031 2.2620 3.4483 2.6836 2.7200 4.3429 2.6782 4.3398 2.5307 4.0842 2.7340 4.2459
H11 2.2788 3.3223 1.1058 3.3031 2.2440 3.4483 2.2620 2.6836 2.7200 4.3429 4.3398 2.6782 4.0842 2.5307 4.2459 2.7340
H12 3.3916 2.3333 3.3930 1.0991 2.2001 3.2130 3.8094 3.5646 4.3870 2.6782 4.3398 2.6851 4.1626 4.8663 3.0930 4.0113
H13 3.3916 3.3930 2.3333 2.2001 1.0991 3.8094 3.2130 3.5646 4.3870 4.3398 2.6782 2.6851 4.8663 4.1626 4.0113 3.0930
H14 2.8232 2.2138 3.2013 3.4472 3.8838 1.1094 2.2185 3.8556 2.6338 2.5307 4.0842 4.1626 4.8663 2.3661 1.7881 2.9911
H15 2.8232 3.2013 2.2138 3.8838 3.4472 2.2185 1.1094 3.8556 2.6338 4.0842 2.5307 4.8663 4.1626 2.3661 2.9911 1.7881
H16 3.3756 2.2309 3.2355 2.6806 3.2362 1.1075 2.2398 4.3124 3.7385 2.7340 4.2459 3.0930 4.0113 1.7881 2.9911 2.4299
H17 3.3756 3.2355 2.2309 3.2362 2.6806 2.2398 1.1075 4.3124 3.7385 4.2459 2.7340 4.0113 3.0930 2.9911 1.7881 2.4299
Maximum atom distance is 4.8663Å 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 100.331 C1 C2 C6 100.453
C1 C3 C5 100.331 C1 C3 C7 100.453
C2 C1 C3 93.751 C2 C4 C5 107.324
C2 C6 C7 102.889 C3 C5 C4 107.324
C3 C7 C6 102.889 C4 C2 C6 105.905
C5 C3 C7 105.905
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 112.770 C2 C1 H9 113.423
C2 C4 H12 124.902 C2 C6 H14 110.281
C2 C6 H16 111.734 C3 C1 H8 112.770
C3 C1 H9 113.423 C3 C5 H13 124.902
C3 C7 H15 110.281 C3 C7 H17 111.734
C4 C2 H10 116.296 C4 C5 H13 127.303
C5 C3 H11 116.296 C5 C4 H12 127.303
C6 C2 H10 114.344 C6 C7 H15 111.306
C6 C7 H17 113.126 C7 C3 H11 114.344
C7 C6 H14 111.306 C7 C6 H16 113.126
H8 C1 H9 109.957 H14 C6 H16 107.519
H15 C7 H17 107.519

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