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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

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6338 1.3297 0.0000   1.4578 0.0000 0.2110
H2 0.5594 2.4226 0.0000   2.4795 0.0000 -0.1842
H3 1.7049 1.0833 0.0000   1.5402 0.0000 1.3069
C4 -0.0157 0.7496 1.2614   0.7112 1.2614 -0.2373
C5 -0.0157 0.7496 -1.2614   0.7112 -1.2614 -0.2373
C6 -0.0157 -0.7782 -1.2131   -0.7478 -1.2131 0.2158
C7 -0.0157 -0.7782 1.2131   -0.7478 1.2131 0.2158
N8 -0.6861 -1.2340 0.0000   -1.3819 0.0000 -0.2893
H9 -0.7746 -2.2435 0.0000   -2.3723 0.0000 -0.0744
H10 0.5135 1.0927 2.1574   1.1958 2.1574 0.1664
H11 0.5135 1.0927 -2.1574   1.1958 -2.1574 0.1664
H12 -1.0533 1.0969 1.3349   0.7353 1.3349 -1.3312
H13 -1.0533 1.0969 -1.3349   0.7353 -1.3349 -1.3312
H14 1.0311 -1.1358 -1.2690   -0.7789 -1.2690 1.3216
H15 1.0311 -1.1358 1.2690   -0.7789 1.2690 1.3216
H16 -0.5477 -1.1837 -2.0797   -1.2928 -2.0797 -0.1720
H17 -0.5477 -1.1837 2.0797   -1.2928 2.0797 -0.1720
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0955 1.0991 1.5328 1.5328 2.5172 2.5172 2.8835 3.8407 2.1737 2.1737 2.1638 2.1638 2.8012 2.8012 3.4696 3.4696
H2 1.0955 1.7624 2.1727 2.1727 3.4709 3.4709 3.8629 4.8530 2.5348 2.5348 2.4779 2.4779 3.8073 3.8073 4.3076 4.3076
H3 1.0991 1.7624 2.1594 2.1594 2.8102 2.8102 3.3296 4.1491 2.4645 2.4645 3.0642 3.0642 2.6436 2.6436 3.8129 3.8129
C4 1.5328 2.1727 2.1594 2.5227 2.9081 1.5285 2.4444 3.3355 1.0958 3.4765 1.0966 2.8173 3.3247 2.1566 3.8966 2.1657
C5 1.5328 2.1727 2.1594 2.5227 1.5285 2.9081 2.4444 3.3355 3.4765 1.0958 2.8173 1.0966 2.1566 3.3247 2.1657 3.8966
C6 2.5172 3.4709 2.8102 2.9081 1.5285 2.4262 1.4590 2.0481 3.8911 2.1615 3.3293 2.1465 1.1077 2.7175 1.0947 3.3600
C7 2.5172 3.4709 2.8102 1.5285 2.9081 2.4262 1.4590 2.0481 2.1615 3.8911 2.1465 3.3293 2.7175 1.1077 3.3600 1.0947
N8 2.8835 3.8629 3.3296 2.4444 2.4444 1.4590 1.4590 1.0134 3.3922 3.3922 2.7111 2.7111 2.1375 2.1375 2.0849 2.0849
H9 3.8407 4.8530 4.1491 3.3355 3.3355 2.0481 2.0481 1.0134 4.1766 4.1766 3.6081 3.6081 2.4694 2.4694 2.3452 2.3452
H10 2.1737 2.5348 2.4645 1.0958 3.4765 3.8911 2.1615 3.3922 4.1766 4.3148 1.7696 3.8276 4.1200 2.4543 4.9255 2.5127
H11 2.1737 2.5348 2.4645 3.4765 1.0958 2.1615 3.8911 3.3922 4.1766 4.3148 3.8276 1.7696 2.4543 4.1200 2.5127 4.9255
H12 2.1638 2.4779 3.0642 1.0966 2.8173 3.3293 2.1465 2.7111 3.6081 1.7696 3.8276 2.6697 4.0137 3.0552 4.1371 2.4519
H13 2.1638 2.4779 3.0642 2.8173 1.0966 2.1465 3.3293 2.7111 3.6081 3.8276 1.7696 2.6697 3.0552 4.0137 2.4519 4.1371
H14 2.8012 3.8073 2.6436 3.3247 2.1566 1.1077 2.7175 2.1375 2.4694 4.1200 2.4543 4.0137 3.0552 2.5380 1.7755 3.7025
H15 2.8012 3.8073 2.6436 2.1566 3.3247 2.7175 1.1077 2.1375 2.4694 2.4543 4.1200 3.0552 4.0137 2.5380 3.7025 1.7755
H16 3.4696 4.3076 3.8129 3.8966 2.1657 1.0947 3.3600 2.0849 2.3452 4.9255 2.5127 4.1371 2.4519 1.7755 3.7025 4.1594
H17 3.4696 4.3076 3.8129 2.1657 3.8966 3.3600 1.0947 2.0849 2.3452 2.5127 4.9255 2.4519 4.1371 3.7025 1.7755 4.1594
Maximum atom distance is 4.9255Å 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 110.626 C1 C5 C6 110.626
C4 C1 C5 110.758 C4 C7 N8 109.786
C5 C6 N8 109.786 C6 N8 C7 112.496
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.475 C1 C4 H12 109.647
C1 C5 H11 110.475 C1 C5 H13 109.647
H2 C1 H3 106.851 H2 C1 C4 110.412
H2 C1 C5 110.412 H3 C1 C4 109.156
H3 C1 C5 109.156 C4 C7 H15 108.730
C4 C7 H17 110.194 C5 C6 H14 108.730
C5 C6 H16 110.194 C6 C5 H11 109.802
C6 C5 H13 108.584 C6 N8 H9 110.569
C7 C4 H10 109.802 C7 C4 H12 108.584
C7 N8 H9 110.569 N8 C6 H14 112.045
N8 C6 H16 108.616 N8 C7 H15 112.045
N8 C7 H17 108.616 H10 C4 H12 107.637
H11 C5 H13 107.637 H14 C6 H16 107.440
H15 C7 H17 107.440

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