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Geometry for C5H11N (Piperidine) 1A' NH axial

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

B1B95/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6788 1.2998 0.0000   -0.2016 0.6482 1.2998
H2 0.6683 2.3948 0.0000   -0.1985 0.6381 2.3948
H3 1.7285 0.9755 0.0000   -0.5135 1.6505 0.9755
C4 -0.0101 0.7509 1.2611   1.2071 0.3649 0.7509
C5 -0.0101 0.7509 -1.2611   -1.2011 -0.3843 0.7509
C6 -0.0101 -0.7881 -1.2185   -1.1605 -0.3716 -0.7881
C7 -0.0101 -0.7881 1.2185   1.1665 0.3523 -0.7881
N8 -0.6430 -1.3310 0.0000   0.1910 -0.6140 -1.3310
H9 -1.6493 -1.1362 0.0000   0.4899 -1.5748 -1.1362
H10 0.4982 1.1062 2.1647   1.9190 1.1187 1.1062
H11 0.4982 1.1062 -2.1647   -2.2149 -0.1673 1.1062
H12 -1.0475 1.1087 1.2932   1.5460 -0.6160 1.1087
H13 -1.0475 1.1087 -1.2932   -0.9237 -1.3844 1.1087
H14 1.0281 -1.1428 -1.2274   -1.4774 0.6171 -1.1428
H15 1.0281 -1.1428 1.2274   0.8666 1.3464 -1.1428
H16 -0.5172 -1.2071 -2.0927   -1.8446 -1.1155 -1.2071
H17 -0.5172 -1.2071 2.0927   2.1519 0.1278 -1.2071
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0951 1.0987 1.5383 1.5383 2.5137 2.5137 2.9441 3.3695 2.1808 2.1808 2.1654 2.1654 2.7559 2.7559 3.4777 3.4777
H2 1.0951 1.7716 2.1802 2.1802 3.4750 3.4750 3.9498 4.2236 2.5249 2.5249 2.5040 2.5040 3.7618 3.7618 4.3311 4.3311
H3 1.0987 1.7716 2.1596 2.1596 2.7601 2.7601 3.3081 3.9836 2.4933 2.4933 3.0654 3.0654 2.5465 2.5465 3.7665 3.7665
C4 1.5383 2.1802 2.1596 2.5221 2.9183 1.5395 2.5149 2.7996 1.0960 3.4814 1.0978 2.7800 3.2950 2.1599 3.9164 2.1868
C5 1.5383 2.1802 2.1596 2.5221 1.5395 2.9183 2.5149 2.7996 3.4814 1.0960 2.7800 1.0978 2.1599 3.2950 2.1868 3.9164
C6 2.5137 3.4750 2.7601 2.9183 1.5395 2.4371 1.4765 2.0719 3.9106 2.1775 3.3140 2.1632 1.0972 2.6808 1.0940 3.3760
C7 2.5137 3.4750 2.7601 1.5395 2.9183 2.4371 1.4765 2.0719 2.1775 3.9106 2.1632 3.3140 2.6808 1.0972 3.3760 1.0940
N8 2.9441 3.9498 3.3081 2.5149 2.5149 1.4765 1.4765 1.0250 3.4537 3.4537 2.7907 2.7907 2.0820 2.0820 2.1002 2.1002
H9 3.3695 4.2236 3.9836 2.7996 2.7996 2.0719 2.0719 1.0250 3.7849 3.7849 2.6597 2.6597 2.9454 2.9454 2.3803 2.3803
H10 2.1808 2.5249 2.4933 1.0960 3.4814 3.9106 2.1775 3.4537 3.7849 4.3293 1.7744 3.7876 4.1043 2.4934 4.9505 2.5273
H11 2.1808 2.5249 2.4933 3.4814 1.0960 2.1775 3.9106 3.4537 3.7849 4.3293 3.7876 1.7744 2.4934 4.1043 2.5273 4.9505
H12 2.1654 2.5040 3.0654 1.0978 2.7800 3.3140 2.1632 2.7907 2.6597 1.7744 3.7876 2.5864 3.9663 3.0630 4.1363 2.5066
H13 2.1654 2.5040 3.0654 2.7800 1.0978 2.1632 3.3140 2.7907 2.6597 3.7876 1.7744 2.5864 3.0630 3.9663 2.5066 4.1363
H14 2.7559 3.7618 2.5465 3.2950 2.1599 1.0972 2.6808 2.0820 2.9454 4.1043 2.4934 3.9663 3.0630 2.4549 1.7723 3.6627
H15 2.7559 3.7618 2.5465 2.1599 3.2950 2.6808 1.0972 2.0820 2.9454 2.4934 4.1043 3.0630 3.9663 2.4549 3.6627 1.7723
H16 3.4777 4.3311 3.7665 3.9164 2.1868 1.0940 3.3760 2.1002 2.3803 4.9505 2.5273 4.1363 2.5066 1.7723 3.6627 4.1854
H17 3.4777 4.3311 3.7665 2.1868 3.9164 3.3760 1.0940 2.1002 2.3803 2.5273 4.9505 2.5066 4.1363 3.6627 1.7723 4.1854
Maximum atom distance is 4.9505Å 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 109.516 C1 C5 C6 109.516
C4 C1 C5 110.130 C4 C7 N8 112.976
C5 C6 N8 112.976 C6 N8 C7 111.234
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.640 C1 C4 H12 109.323
C1 C5 H11 110.640 C1 C5 H13 109.323
H2 C1 H3 107.718 H2 C1 C4 110.642
H2 C1 C5 110.642 H3 C1 C4 108.820
H3 C1 C5 108.820 C4 C7 H15 108.843
C4 C7 H17 111.147 C5 C6 H14 108.843
C5 C6 H16 111.147 C6 C5 H11 110.295
C6 C5 H13 109.066 C6 N8 H9 110.544
C7 C4 H10 110.295 C7 C4 H12 109.066
C7 N8 H9 110.544 N8 C6 H14 107.061
N8 C6 H16 108.660 N8 C7 H15 107.061
N8 C7 H17 108.660 H10 C4 H12 107.965
H11 C5 H13 107.965 H14 C6 H16 107.956
H15 C7 H17 107.956

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