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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

B97D3/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6379 1.3292 0.0000   -0.1904 0.6088 1.3292
H2 0.5769 2.4238 0.0000   -0.1722 0.5506 2.4238
H3 1.7072 1.0723 0.0000   -0.5096 1.6293 1.0723
C4 -0.0156 0.7516 1.2627   1.2098 0.3620 0.7516
C5 -0.0156 0.7516 -1.2627   -1.2004 -0.3919 0.7516
C6 -0.0156 -0.7784 -1.2151   -1.1550 -0.3777 -0.7784
C7 -0.0156 -0.7784 1.2151   1.1643 0.3478 -0.7784
N8 -0.6959 -1.2346 0.0000   0.2077 -0.6641 -1.2346
H9 -0.7688 -2.2472 0.0000   0.2295 -0.7338 -2.2472
H10 0.5109 1.0943 2.1615   1.9104 1.1329 1.0943
H11 0.5109 1.0943 -2.1615   -2.2154 -0.1577 1.0943
H12 -1.0534 1.1010 1.3338   1.5875 -0.6072 1.1010
H13 -1.0534 1.1010 -1.3338   -0.9585 -1.4035 1.1010
H14 1.0348 -1.1338 -1.2622   -1.5136 0.6108 -1.1338
H15 1.0348 -1.1338 1.2622   0.8957 1.3644 -1.1338
H16 -0.5403 -1.1913 -2.0838   -1.8275 -1.1378 -1.1913
H17 -0.5403 -1.1913 2.0838   2.1501 0.1064 -1.1913
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0964 1.0997 1.5346 1.5346 2.5190 2.5190 2.8899 3.8431 2.1779 2.1779 2.1660 2.1660 2.7959 2.7959 3.4761 3.4761
H2 1.0964 1.7619 2.1776 2.1776 3.4759 3.4759 3.8735 4.8610 2.5385 2.5385 2.4873 2.4873 3.8026 3.8026 4.3197 4.3197
H3 1.0997 1.7619 2.1599 2.1599 2.8053 2.8053 3.3311 4.1412 2.4705 2.4705 3.0660 3.0660 2.6291 2.6291 3.8102 3.8102
C4 1.5346 2.1776 2.1599 2.5254 2.9120 1.5307 2.4499 3.3398 1.0966 3.4813 1.0973 2.8180 3.3216 2.1583 3.9050 2.1735
C5 1.5346 2.1776 2.1599 2.5254 1.5307 2.9120 2.4499 3.3398 3.4813 1.0966 2.8180 1.0973 2.1583 3.3216 2.1735 3.9050
C6 2.5190 3.4759 2.8053 2.9120 1.5307 2.4301 1.4653 2.0497 3.8968 2.1633 3.3326 2.1502 1.1099 2.7142 1.0957 3.3658
C7 2.5190 3.4759 2.8053 1.5307 2.9120 2.4301 1.4653 2.0497 2.1633 3.8968 2.1502 3.3326 2.7142 1.1099 3.3658 1.0957
N8 2.8899 3.8735 3.3311 2.4499 2.4499 1.4653 1.4653 1.0152 3.3988 3.3988 2.7133 2.7133 2.1444 2.1444 2.0901 2.0901
H9 3.8431 4.8610 4.1412 3.3398 3.3398 2.0497 2.0497 1.0152 4.1804 4.1804 3.6153 3.6153 2.4670 2.4670 2.3472 2.3472
H10 2.1779 2.5385 2.4705 1.0966 3.4813 3.8968 2.1633 3.3988 4.1804 4.3230 1.7698 3.8294 4.1183 2.4592 4.9347 2.5170
H11 2.1779 2.5385 2.4705 3.4813 1.0966 2.1633 3.8968 3.3988 4.1804 4.3230 3.8294 1.7698 2.4592 4.1183 2.5170 4.9347
H12 2.1660 2.4873 3.0660 1.0973 2.8180 3.3326 2.1502 2.7133 3.6153 1.7698 3.8294 2.6677 4.0118 3.0595 4.1471 2.4659
H13 2.1660 2.4873 3.0660 2.8180 1.0973 2.1502 3.3326 2.7133 3.6153 3.8294 1.7698 2.6677 3.0595 4.0118 2.4659 4.1471
H14 2.7959 3.8026 2.6291 3.3216 2.1583 1.1099 2.7142 2.1444 2.4670 4.1183 2.4592 4.0118 3.0595 2.5244 1.7775 3.6987
H15 2.7959 3.8026 2.6291 2.1583 3.3216 2.7142 1.1099 2.1444 2.4670 2.4592 4.1183 3.0595 4.0118 2.5244 3.6987 1.7775
H16 3.4761 4.3197 3.8102 3.9050 2.1735 1.0957 3.3658 2.0901 2.3472 4.9347 2.5170 4.1471 2.4659 1.7775 3.6987 4.1676
H17 3.4761 4.3197 3.8102 2.1735 3.9050 3.3658 1.0957 2.0901 2.3472 2.5170 4.9347 2.4659 4.1471 3.6987 1.7775 4.1676
Maximum atom distance is 4.9347Å 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 110.623 C1 C5 C6 110.623
C4 C1 C5 110.783 C4 C7 N8 109.832
C5 C6 N8 109.832 C6 N8 C7 112.537
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.535 C1 C4 H12 109.628
C1 C5 H11 110.535 C1 C5 H13 109.628
H2 C1 H3 106.745 H2 C1 C4 110.497
H2 C1 C5 110.497 H3 C1 C4 109.107
H3 C1 C5 109.107 C4 C7 H15 108.583
C4 C7 H17 110.344 C5 C6 H14 108.583
C5 C6 H16 110.344 C6 C5 H11 109.792
C6 C5 H13 108.625 C6 N8 H9 110.553
C7 C4 H10 109.792 C7 C4 H12 108.625
C7 N8 H9 110.553 N8 C6 H14 112.146
N8 C6 H16 108.601 N8 C7 H15 112.146
N8 C7 H17 108.601 H10 C4 H12 107.563
H11 C5 H13 107.563 H14 C6 H16 107.307
H15 C7 H17 107.307

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