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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

BLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6381 1.3448 0.0000   -0.1995 0.6061 1.3448
H2 0.5649 2.4459 0.0000   -0.1766 0.5366 2.4459
H3 1.7175 1.1009 0.0000   -0.5370 1.6314 1.1009
C4 -0.0133 0.7560 1.2753   1.2155 0.3861 0.7560
C5 -0.0133 0.7560 -1.2753   -1.2072 -0.4114 0.7560
C6 -0.0133 -0.7873 -1.2249   -1.1593 -0.3956 -0.7873
C7 -0.0133 -0.7873 1.2249   1.1676 0.3703 -0.7873
N8 -0.7079 -1.2411 0.0000   0.2213 -0.6724 -1.2411
H9 -0.7584 -2.2656 0.0000   0.2371 -0.7203 -2.2656
H10 0.5197 1.1003 2.1784   1.9067 1.1747 1.1003
H11 0.5197 1.1003 -2.1784   -2.2317 -0.1875 1.1003
H12 -1.0576 1.1054 1.3543   1.6171 -0.5812 1.1054
H13 -1.0576 1.1054 -1.3543   -0.9557 -1.4280 1.1054
H14 1.0429 -1.1470 -1.2798   -1.5417 0.5904 -1.1470
H15 1.0429 -1.1470 1.2798   0.8896 1.3907 -1.1470
H16 -0.5436 -1.2018 -2.0988   -1.8236 -1.1725 -1.2018
H17 -0.5436 -1.2018 2.0988   2.1635 0.1399 -1.2018
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.1036 1.1067 1.5483 1.5483 2.5437 2.5437 2.9152 3.8710 2.1953 2.1953 2.1833 2.1833 2.8303 2.8303 3.5052 3.5052
H2 1.1036 1.7713 2.1946 2.1946 3.5055 3.5055 3.9005 4.8938 2.5609 2.5609 2.5027 2.5027 3.8439 3.8439 4.3520 4.3520
H3 1.1067 1.7713 2.1774 2.1774 2.8393 2.8393 3.3716 4.1789 2.4860 2.4860 3.0880 3.0880 2.6733 2.6733 3.8497 3.8497
C4 1.5483 2.1946 2.1774 2.5505 2.9381 1.5442 2.4693 3.3633 1.1037 3.5115 1.1040 2.8508 3.3564 2.1765 3.9368 2.1892
C5 1.5483 2.1946 2.1774 2.5505 1.5442 2.9381 2.4693 3.3633 3.5115 1.1037 2.8508 1.1040 2.1765 3.3564 2.1892 3.9368
C6 2.5437 3.5055 2.8393 2.9381 1.5442 2.4497 1.4794 2.0593 3.9280 2.1809 3.3653 2.1656 1.1171 2.7420 1.1031 3.3911
C7 2.5437 3.5055 2.8393 1.5442 2.9381 2.4497 1.4794 2.0593 2.1809 3.9280 2.1656 3.3653 2.7420 1.1171 3.3911 1.1031
N8 2.9152 3.9005 3.3716 2.4693 2.4693 1.4794 1.4794 1.0258 3.4255 3.4255 2.7317 2.7317 2.1707 2.1707 2.1056 2.1056
H9 3.8710 4.8938 4.1789 3.3633 3.3633 2.0593 2.0593 1.0258 4.2081 4.2081 3.6452 3.6452 2.4766 2.4766 2.3628 2.3628
H10 2.1953 2.5609 2.4860 1.1037 3.5115 3.9280 2.1809 3.4255 4.2081 4.3568 1.7796 3.8688 4.1573 2.4762 4.9724 2.5370
H11 2.1953 2.5609 2.4860 3.5115 1.1037 2.1809 3.9280 3.4255 4.2081 4.3568 3.8688 1.7796 2.4762 4.1573 2.5370 4.9724
H12 2.1833 2.5027 3.0880 1.1040 2.8508 3.3653 2.1656 2.7317 3.6452 1.7796 3.8688 2.7086 4.0526 3.0807 4.1847 2.4783
H13 2.1833 2.5027 3.0880 2.8508 1.1040 2.1656 3.3653 2.7317 3.6452 3.8688 1.7796 2.7086 3.0807 4.0526 2.4783 4.1847
H14 2.8303 3.8439 2.6733 3.3564 2.1765 1.1171 2.7420 2.1707 2.4766 4.1573 2.4762 4.0526 3.0807 2.5596 1.7862 3.7330
H15 2.8303 3.8439 2.6733 2.1765 3.3564 2.7420 1.1171 2.1707 2.4766 2.4762 4.1573 3.0807 4.0526 2.5596 3.7330 1.7862
H16 3.5052 4.3520 3.8497 3.9368 2.1892 1.1031 3.3911 2.1056 2.3628 4.9724 2.5370 4.1847 2.4783 1.7862 3.7330 4.1976
H17 3.5052 4.3520 3.8497 2.1892 3.9368 3.3911 1.1031 2.1056 2.3628 2.5370 4.9724 2.4783 4.1847 3.7330 1.7862 4.1976
Maximum atom distance is 4.9724Å 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 110.681 C1 C5 C6 110.681
C4 C1 C5 110.906 C4 C7 N8 109.485
C5 C6 N8 109.485 C6 N8 C7 111.775
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.622 C1 C4 H12 109.669
C1 C5 H11 110.622 C1 C5 H13 109.669
H2 C1 H3 106.532 H2 C1 C4 110.580
H2 C1 C5 110.580 H3 C1 C4 109.061
H3 C1 C5 109.061 C4 C7 H15 108.675
C4 C7 H17 110.469 C5 C6 H14 108.675
C5 C6 H16 110.469 C6 C5 H11 109.781
C6 C5 H13 108.578 C6 N8 H9 109.233
C7 C4 H10 109.781 C7 C4 H12 108.578
C7 N8 H9 109.233 N8 C6 H14 112.700
N8 C6 H16 108.361 N8 C7 H15 112.700
N8 C7 H17 108.361 H10 C4 H12 107.429
H11 C5 H13 107.429 H14 C6 H16 107.130
H15 C7 H17 107.130

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