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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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6363 1.3338 0.0000   -0.1893 0.6075 1.3338
H2 0.5708 2.4422 0.0000   -0.1698 0.5450 2.4422
H3 1.7216 1.0817 0.0000   -0.5121 1.6437 1.0817
C4 -0.0135 0.7505 1.2647   1.2115 0.3633 0.7505
C5 -0.0135 0.7505 -1.2647   -1.2035 -0.3891 0.7505
C6 -0.0135 -0.7824 -1.2114   -1.1526 -0.3732 -0.7824
C7 -0.0135 -0.7824 1.2114   1.1606 0.3475 -0.7824
N8 -0.7068 -1.2287 0.0000   0.2103 -0.6748 -1.2287
H9 -0.7676 -2.2546 0.0000   0.2283 -0.7328 -2.2546
H10 0.5173 1.0983 2.1760   1.9236 1.1412 1.0983
H11 0.5173 1.0983 -2.1760   -2.2313 -0.1534 1.0983
H12 -1.0662 1.1003 1.3386   1.5951 -0.6198 1.1003
H13 -1.0662 1.1003 -1.3386   -0.9608 -1.4161 1.1003
H14 1.0523 -1.1418 -1.2611   -1.5170 0.6296 -1.1418
H15 1.0523 -1.1418 1.2611   0.8909 1.3798 -1.1418
H16 -0.5392 -1.2008 -2.0949   -1.8397 -1.1380 -1.2008
H17 -0.5392 -1.2008 2.0949   2.1605 0.1083 -1.2008
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.1103 1.1142 1.5369 1.5369 2.5235 2.5235 2.8932 3.8533 2.1919 2.1919 2.1783 2.1783 2.8093 2.8093 3.4921 3.4921
H2 1.1103 1.7819 2.1916 2.1916 3.4939 3.4939 3.8869 4.8838 2.5581 2.5581 2.5045 2.5045 3.8298 3.8298 4.3466 4.3466
H3 1.1142 1.7819 2.1725 2.1725 2.8201 2.8201 3.3519 4.1626 2.4871 2.4871 3.0926 3.0926 2.6424 2.6424 3.8354 3.8354
C4 1.5369 2.1916 2.1725 2.5295 2.9122 1.5338 2.4490 3.3465 1.1104 3.4987 1.1118 2.8298 3.3311 2.1718 3.9206 2.1848
C5 1.5369 2.1916 2.1725 2.5295 1.5338 2.9122 2.4490 3.3465 3.4987 1.1104 2.8298 1.1118 2.1718 3.3311 2.1848 3.9206
C6 2.5235 3.4939 2.8201 2.9122 1.5338 2.4228 1.4654 2.0503 3.9106 2.1792 3.3399 2.1608 1.1259 2.7163 1.1100 3.3739
C7 2.5235 3.4939 2.8201 1.5338 2.9122 2.4228 1.4654 2.0503 2.1792 3.9106 2.1608 3.3399 2.7163 1.1259 3.3739 1.1100
N8 2.8932 3.8869 3.3519 2.4490 2.4490 1.4654 1.4654 1.0277 3.4129 3.4129 2.7103 2.7103 2.1662 2.1662 2.1018 2.1018
H9 3.8533 4.8838 4.1626 3.3465 3.3465 2.0503 2.0503 1.0277 4.1985 4.1985 3.6245 3.6245 2.4780 2.4780 2.3561 2.3561
H10 2.1919 2.5581 2.4871 1.1104 3.4987 3.9106 2.1792 3.4129 4.1985 4.3520 1.7913 3.8548 4.1373 2.4781 4.9641 2.5315
H11 2.1919 2.5581 2.4871 3.4987 1.1104 2.1792 3.9106 3.4129 4.1985 4.3520 3.8548 1.7913 2.4781 4.1373 2.5315 4.9641
H12 2.1783 2.5045 3.0926 1.1118 2.8298 3.3399 2.1608 2.7103 3.6245 1.7913 3.8548 2.6771 4.0340 3.0857 4.1667 2.4789
H13 2.1783 2.5045 3.0926 2.8298 1.1118 2.1608 3.3399 2.7103 3.6245 3.8548 1.7913 2.6771 3.0857 4.0340 2.4789 4.1667
H14 2.8093 3.8298 2.6424 3.3311 2.1718 1.1259 2.7163 2.1662 2.4780 4.1373 2.4781 4.0340 3.0857 2.5221 1.7977 3.7147
H15 2.8093 3.8298 2.6424 2.1718 3.3311 2.7163 1.1259 2.1662 2.4780 2.4781 4.1373 3.0857 4.0340 2.5221 3.7147 1.7977
H16 3.4921 4.3466 3.8354 3.9206 2.1848 1.1100 3.3739 2.1018 2.3561 4.9641 2.5315 4.1667 2.4789 1.7977 3.7147 4.1898
H17 3.4921 4.3466 3.8354 2.1848 3.9206 3.3739 1.1100 2.1018 2.3561 2.5315 4.9641 2.4789 4.1667 3.7147 1.7977 4.1898
Maximum atom distance is 4.9641Å 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 110.531 C1 C5 C6 110.531
C4 C1 C5 110.753 C4 C7 N8 109.459
C5 C6 N8 109.459 C6 N8 C7 111.516
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.752 C1 C4 H12 109.606
C1 C5 H11 110.752 C1 C5 H13 109.606
H2 C1 H3 106.461 H2 C1 C4 110.728
H2 C1 C5 110.728 H3 C1 C4 109.024
H3 C1 C5 109.024 C4 C7 H15 108.511
C4 C7 H17 110.430 C5 C6 H14 108.511
C5 C6 H16 110.430 C6 C5 H11 109.971
C6 C5 H13 108.469 C6 N8 H9 109.391
C7 C4 H10 109.971 C7 C4 H12 108.469
C7 N8 H9 109.391 N8 C6 H14 112.776
N8 C6 H16 108.606 N8 C7 H15 112.776
N8 C7 H17 108.606 H10 C4 H12 107.430
H11 C5 H13 107.430 H14 C6 H16 107.034
H15 C7 H17 107.034

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