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Geometry for C5H11N (Piperidine) 1A' NH equatorial

1910171554
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 INChIKey=NQRYJNQNLNOLGT-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6266 1.3286 0.0000   -0.1827 0.5994 1.3286
H2 0.5461 2.4099 0.0000   -0.1592 0.5223 2.4099
H3 1.6885 1.0947 0.0000   -0.4924 1.6152 1.0947
C4 -0.0164 0.7465 1.2576   1.2077 0.3511 0.7465
C5 -0.0164 0.7465 -1.2576   -1.1982 -0.3824 0.7465
C6 -0.0164 -0.7760 -1.2097   -1.1523 -0.3684 -0.7760
C7 -0.0164 -0.7760 1.2097   1.1619 0.3371 -0.7760
N8 -0.6746 -1.2326 0.0000   0.1967 -0.6453 -1.2326
H9 -0.7531 -2.2258 0.0000   0.2196 -0.7203 -2.2258
H10 0.5090 1.0864 2.1436   1.9020 1.1120 1.0864
H11 0.5090 1.0864 -2.1436   -2.1989 -0.1381 1.0864
H12 -1.0421 1.0915 1.3353   1.5811 -0.6074 1.0915
H13 -1.0421 1.0915 -1.3353   -0.9734 -1.3862 1.0915
H14 1.0154 -1.1342 -1.2705   -1.5114 0.6008 -1.1342
H15 1.0154 -1.1342 1.2705   0.9192 1.3418 -1.1342
H16 -0.5456 -1.1774 -2.0652   -1.8164 -1.1241 -1.1774
H17 -0.5456 -1.1774 2.0652   2.1346 0.0803 -1.1774
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0843 1.0874 1.5277 1.5277 2.5112 2.5112 2.8729 3.8128 2.1604 2.1604 2.1503 2.1503 2.7983 2.7983 3.4525 3.4525
H2 1.0843 1.7422 2.1599 2.1599 3.4540 3.4540 3.8417 4.8143 2.5195 2.5195 2.4583 2.4583 3.7941 3.7941 4.2809 4.2809
H3 1.0874 1.7422 2.1470 2.1470 2.8053 2.8053 3.3168 4.1215 2.4467 2.4467 3.0396 3.0396 2.6524 2.6524 3.7972 3.7972
C4 1.5277 2.1599 2.1470 2.5152 2.8992 1.5232 2.4355 3.3103 1.0847 3.4583 1.0850 2.8097 3.3155 2.1451 3.8759 2.1526
C5 1.5277 2.1599 2.1470 2.5152 1.5232 2.8992 2.4355 3.3103 3.4583 1.0847 2.8097 1.0850 2.1451 3.3155 2.1526 3.8759
C6 2.5112 3.4540 2.8053 2.8992 1.5232 2.4193 1.4509 2.0268 3.8716 2.1487 3.3191 2.1344 1.0939 2.7100 1.0831 3.3416
C7 2.5112 3.4540 2.8053 1.5232 2.8992 2.4193 1.4509 2.0268 2.1487 3.8716 2.1344 3.3191 2.7100 1.0939 3.3416 1.0831
N8 2.8729 3.8417 3.3168 2.4355 2.4355 1.4509 1.4509 0.9962 3.3726 3.3726 2.7055 2.7055 2.1166 2.1166 2.0700 2.0700
H9 3.8128 4.8143 4.1215 3.3103 3.3103 2.0268 2.0268 0.9962 4.1423 4.1423 3.5876 3.5876 2.4359 2.4359 2.3254 2.3254
H10 2.1604 2.5195 2.4467 1.0847 3.4583 3.8716 2.1487 3.3726 4.1423 4.2872 1.7491 3.8090 4.1041 2.4392 4.8940 2.4987
H11 2.1604 2.5195 2.4467 3.4583 1.0847 2.1487 3.8716 3.3726 4.1423 4.2872 3.8090 1.7491 2.4392 4.1041 2.4987 4.8940
H12 2.1503 2.4583 3.0396 1.0850 2.8097 3.3191 2.1344 2.7055 3.5876 1.7491 3.8090 2.6706 3.9972 3.0317 4.1180 2.4346
H13 2.1503 2.4583 3.0396 2.8097 1.0850 2.1344 3.3191 2.7055 3.5876 3.8090 1.7491 2.6706 3.0317 3.9972 2.4346 4.1180
H14 2.7983 3.7941 2.6524 3.3155 2.1451 1.0939 2.7100 2.1166 2.4359 4.1041 2.4392 3.9972 3.0317 2.5410 1.7522 3.6832
H15 2.7983 3.7941 2.6524 2.1451 3.3155 2.7100 1.0939 2.1166 2.4359 2.4392 4.1041 3.0317 3.9972 2.5410 3.6832 1.7522
H16 3.4525 4.2809 3.7972 3.8759 2.1526 1.0831 3.3416 2.0700 2.3254 4.8940 2.4987 4.1180 2.4346 1.7522 3.6832 4.1305
H17 3.4525 4.2809 3.7972 2.1526 3.8759 3.3416 1.0831 2.0700 2.3254 2.4987 4.8940 2.4346 4.1180 3.6832 1.7522 4.1305
Maximum atom distance is 4.8940Å between atoms H10 and H16.
picture of Piperidine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C7 110.792 C1 C5 C6 110.792
C4 C1 C5 110.811 C4 C7 N8 109.925
C5 C6 N8 109.925 C6 N8 C7 112.970
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.431 C1 C4 H12 109.612
C1 C5 H11 110.431 C1 C5 H13 109.612
H2 C1 H3 106.684 H2 C1 C4 110.410
H2 C1 C5 110.410 H3 C1 C4 109.212
H3 C1 C5 109.212 C4 C7 H15 108.995
C4 C7 H17 110.216 C5 C6 H14 108.995
C5 C6 H16 110.216 C6 C5 H11 109.813
C6 C5 H13 108.671 C6 N8 H9 110.455
C7 C4 H10 109.813 C7 C4 H12 108.671
C7 N8 H9 110.455 N8 C6 H14 111.793
N8 C6 H16 108.679 N8 C7 H15 111.793
N8 C7 H17 108.679 H10 C4 H12 107.442
H11 C5 H13 107.442 H14 C6 H16 107.194
H15 C7 H17 107.194

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