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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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6516 1.3142 0.0000   0.1979 0.6208 1.3142
H2 0.6102 2.4065 0.0000   0.1853 0.5814 2.4065
H3 1.7119 1.0359 0.0000   0.5198 1.6310 1.0359
C4 -0.0138 0.7475 1.2541   1.1907 -0.3940 0.7475
C5 -0.0138 0.7475 -1.2541   -1.1991 0.3677 0.7475
C6 -0.0138 -0.7764 -1.2018   -1.1493 0.3518 -0.7764
C7 -0.0138 -0.7764 1.2018   1.1409 -0.3781 -0.7764
N8 -0.7190 -1.2112 0.0000   -0.2183 -0.6851 -1.2112
H9 -0.7838 -2.2233 0.0000   -0.2380 -0.7468 -2.2233
H10 0.5020 1.0907 2.1550   2.2057 -0.1761 1.0907
H11 0.5020 1.0907 -2.1550   -1.9008 1.1327 1.0907
H12 -1.0503 1.0922 1.3099   0.9291 -1.3984 1.0922
H13 -1.0503 1.0922 -1.3099   -1.5669 -0.6029 1.0922
H14 1.0314 -1.1328 -1.2298   -0.8585 1.3562 -1.1328
H15 1.0314 -1.1328 1.2298   1.4849 0.6093 -1.1328
H16 -0.5251 -1.1895 -2.0749   -2.1363 0.1297 -1.1895
H17 -0.5251 -1.1895 2.0749   1.8174 -1.1304 -1.1895
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0931 1.0962 1.5286 1.5286 2.5016 2.5016 2.8734 3.8177 2.1717 2.1717 2.1590 2.1590 2.7649 2.7649 3.4580 3.4580
H2 1.0931 1.7584 2.1713 2.1713 3.4590 3.4590 3.8542 4.8351 2.5273 2.5273 2.4900 2.4900 3.7705 3.7705 4.3040 4.3040
H3 1.0962 1.7584 2.1527 2.1527 2.7761 2.7761 3.3105 4.1051 2.4720 2.4720 3.0575 3.0575 2.5844 2.5844 3.7765 3.7765
C4 1.5286 2.1713 2.1527 2.5083 2.8904 1.5248 2.4304 3.3154 1.0933 3.4650 1.0937 2.7870 3.2860 2.1515 3.8853 2.1649
C5 1.5286 2.1713 2.1527 2.5083 1.5248 2.8904 2.4304 3.3154 3.4650 1.0933 2.7870 1.0937 2.1515 3.2860 2.1649 3.8853
C6 2.5016 3.4590 2.7761 2.8904 1.5248 2.4037 1.4597 2.0325 3.8756 2.1589 3.2977 2.1396 1.1046 2.6706 1.0928 3.3420
C7 2.5016 3.4590 2.7761 1.5248 2.8904 2.4037 1.4597 2.0325 2.1589 3.8756 2.1396 3.2977 2.6706 1.1046 3.3420 1.0928
N8 2.8734 3.8542 3.3105 2.4304 2.4304 1.4597 1.4597 1.0142 3.3814 3.3814 2.6705 2.6705 2.1407 2.1407 2.0840 2.0840
H9 3.8177 4.8351 4.1051 3.3154 3.3154 2.0325 2.0325 1.0142 4.1570 4.1570 3.5749 3.5749 2.4488 2.4488 2.3326 2.3326
H10 2.1717 2.5273 2.4720 1.0933 3.4650 3.8756 2.1589 3.3814 4.1570 4.3100 1.7674 3.7967 4.0843 2.4658 4.9138 2.5021
H11 2.1717 2.5273 2.4720 3.4650 1.0933 2.1589 3.8756 3.3814 4.1570 4.3100 3.7967 1.7674 2.4658 4.0843 2.5021 4.9138
H12 2.1590 2.4900 3.0575 1.0937 2.7870 3.2977 2.1396 2.6705 3.5749 1.7674 3.7967 2.6197 3.9666 3.0480 4.1156 2.4631
H13 2.1590 2.4900 3.0575 2.7870 1.0937 2.1396 3.2977 2.6705 3.5749 3.7967 1.7674 2.6197 3.0480 3.9666 2.4631 4.1156
H14 2.7649 3.7705 2.5844 3.2860 2.1515 1.1046 2.6706 2.1407 2.4488 4.0843 2.4658 3.9666 3.0480 2.4596 1.7721 3.6533
H15 2.7649 3.7705 2.5844 2.1515 3.2860 2.6706 1.1046 2.1407 2.4488 2.4658 4.0843 3.0480 3.9666 2.4596 3.6533 1.7721
H16 3.4580 4.3040 3.7765 3.8853 2.1649 1.0928 3.3420 2.0840 2.3326 4.9138 2.5021 4.1156 2.4631 1.7721 3.6533 4.1497
H17 3.4580 4.3040 3.7765 2.1649 3.8853 3.3420 1.0928 2.0840 2.3326 2.5021 4.9138 2.4631 4.1156 3.6533 1.7721 4.1497
Maximum atom distance is 4.9138Å 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 110.019 C1 C5 C6 110.019
C4 C1 C5 110.256 C4 C7 N8 109.023
C5 C6 N8 109.023 C6 N8 C7 110.837
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.750 C1 C4 H12 109.724
C1 C5 H11 110.750 C1 C5 H13 109.724
H2 C1 H3 106.874 H2 C1 C4 110.729
H2 C1 C5 110.729 H3 C1 C4 109.083
H3 C1 C5 109.083 C4 C7 H15 108.758
C4 C7 H17 110.507 C5 C6 H14 108.758
C5 C6 H16 110.507 C6 C5 H11 109.996
C6 C5 H13 108.464 C6 N8 H9 109.156
C7 C4 H10 109.996 C7 C4 H12 108.464
C7 N8 H9 109.156 N8 C6 H14 112.450
N8 C6 H16 108.607 N8 C7 H15 112.450
N8 C7 H17 108.607 H10 C4 H12 107.830
H11 C5 H13 107.830 H14 C6 H16 107.492
H15 C7 H17 107.492

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