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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

B97D3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6401 1.3331 0.0000   1.4634 0.0000 0.2130
H2 0.5779 2.4316 0.0000   2.4933 0.0000 -0.1742
H3 1.7130 1.0748 0.0000   1.5371 0.0000 1.3141
C4 -0.0153 0.7533 1.2664   0.7145 1.2664 -0.2394
C5 -0.0153 0.7533 -1.2664   0.7145 -1.2664 -0.2394
C6 -0.0153 -0.7812 -1.2180   -0.7502 -1.2180 0.2186
C7 -0.0153 -0.7812 1.2180   -0.7502 1.2180 0.2186
N8 -0.6998 -1.2357 0.0000   -1.3882 0.0000 -0.2991
H9 -0.7728 -2.2518 0.0000   -2.3798 0.0000 -0.0655
H10 0.5137 1.0965 2.1684   1.1999 2.1684 0.1630
H11 0.5137 1.0965 -2.1684   1.1999 -2.1684 0.1630
H12 -1.0570 1.1026 1.3371   0.7368 1.3371 -1.3379
H13 -1.0570 1.1026 -1.3371   0.7368 -1.3371 -1.3379
H14 1.0392 -1.1379 -1.2635   -0.7759 -1.2635 1.3314
H15 1.0392 -1.1379 1.2635   -0.7759 1.2635 1.3314
H16 -0.5425 -1.1957 -2.0891   -1.3031 -2.0891 -0.1609
H17 -0.5425 -1.1957 2.0891   -1.3031 2.0891 -0.1609
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.1003 1.1036 1.5392 1.5392 2.5265 2.5265 2.8972 3.8533 2.1849 2.1849 2.1728 2.1728 2.8038 2.8038 3.4867 3.4867
H2 1.1003 1.7690 2.1845 2.1845 3.4868 3.4868 3.8835 4.8743 2.5472 2.5472 2.4954 2.4954 3.8145 3.8145 4.3332 4.3332
H3 1.1036 1.7690 2.1666 2.1666 2.8134 2.8134 3.3407 4.1528 2.4780 2.4780 3.0760 3.0760 2.6357 2.6357 3.8219 3.8219
C4 1.5392 2.1845 2.1666 2.5328 2.9201 1.5353 2.4553 3.3479 1.1005 3.4922 1.1010 2.8258 3.3300 2.1653 3.9161 2.1803
C5 1.5392 2.1845 2.1666 2.5328 1.5353 2.9201 2.4553 3.3479 3.4922 1.1005 2.8258 1.1010 2.1653 3.3300 2.1803 3.9161
C6 2.5265 3.4868 2.8134 2.9201 1.5353 2.4360 1.4692 2.0543 3.9081 2.1700 3.3410 2.1560 1.1140 2.7197 1.0993 3.3744
C7 2.5265 3.4868 2.8134 1.5353 2.9201 2.4360 1.4692 2.0543 2.1700 3.9081 2.1560 3.3410 2.7197 1.1140 3.3744 1.0993
N8 2.8972 3.8835 3.3407 2.4553 2.4553 1.4692 1.4692 1.0188 3.4079 3.4079 2.7171 2.7171 2.1518 2.1518 2.0954 2.0954
H9 3.8533 4.8743 4.1528 3.3479 3.3479 2.0543 2.0543 1.0188 4.1915 4.1915 3.6222 3.6222 2.4740 2.4740 2.3522 2.3522
H10 2.1849 2.5472 2.4780 1.1005 3.4922 3.9081 2.1700 3.4079 4.1915 4.3368 1.7772 3.8413 4.1287 2.4673 4.9493 2.5251
H11 2.1849 2.5472 2.4780 3.4922 1.1005 2.1700 3.9081 3.4079 4.1915 4.3368 3.8413 1.7772 2.4673 4.1287 2.5251 4.9493
H12 2.1728 2.4954 3.0760 1.1010 2.8258 3.3410 2.1560 2.7171 3.6222 1.7772 3.8413 2.6742 4.0220 3.0691 4.1576 2.4723
H13 2.1728 2.4954 3.0760 2.8258 1.1010 2.1560 3.3410 2.7171 3.6222 3.8413 1.7772 2.6742 3.0691 4.0220 2.4723 4.1576
H14 2.8038 3.8145 2.6357 3.3300 2.1653 1.1140 2.7197 2.1518 2.4740 4.1287 2.4673 4.0220 3.0691 2.5270 1.7851 3.7074
H15 2.8038 3.8145 2.6357 2.1653 3.3300 2.7197 1.1140 2.1518 2.4740 2.4673 4.1287 3.0691 4.0220 2.5270 3.7074 1.7851
H16 3.4867 4.3332 3.8219 3.9161 2.1803 1.0993 3.3744 2.0954 2.3522 4.9493 2.5251 4.1576 2.4723 1.7851 3.7074 4.1781
H17 3.4867 4.3332 3.8219 2.1803 3.9161 3.3744 1.0993 2.0954 2.3522 2.5251 4.9493 2.4723 4.1576 3.7074 1.7851 4.1781
Maximum atom distance is 4.9493Å 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 110.662 C1 C5 C6 110.662
C4 C1 C5 110.806 C4 C7 N8 109.806
C5 C6 N8 109.806 C6 N8 C7 112.599
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.552 C1 C4 H12 109.619
C1 C5 H11 110.552 C1 C5 H13 109.619
H2 C1 H3 106.754 H2 C1 C4 110.498
H2 C1 C5 110.498 H3 C1 C4 109.089
H3 C1 C5 109.089 C4 C7 H15 108.567
C4 C7 H17 110.325 C5 C6 H14 108.567
C5 C6 H16 110.325 C6 C5 H11 109.769
C6 C5 H13 108.568 C6 N8 H9 110.539
C7 C4 H10 109.769 C7 C4 H12 108.568
C7 N8 H9 110.539 N8 C6 H14 112.200
N8 C6 H16 108.572 N8 C7 H15 112.200
N8 C7 H17 108.572 H10 C4 H12 107.595
H11 C5 H13 107.595 H14 C6 H16 107.343
H15 C7 H17 107.343

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