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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

wB97X-D/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6335 1.3255 0.0000   -0.1882 0.6049 1.3255
H2 0.5610 2.4154 0.0000   -0.1666 0.5357 2.4154
H3 1.7009 1.0774 0.0000   -0.5052 1.6242 1.0774
C4 -0.0157 0.7479 1.2577   1.2056 0.3586 0.7479
C5 -0.0157 0.7479 -1.2577   -1.1962 -0.3885 0.7479
C6 -0.0157 -0.7759 -1.2094   -1.1502 -0.3742 -0.7759
C7 -0.0157 -0.7759 1.2094   1.1595 0.3442 -0.7759
N8 -0.6865 -1.2317 0.0000   0.2039 -0.6555 -1.2317
H9 -0.7715 -2.2382 0.0000   0.2292 -0.7367 -2.2382
H10 0.5114 1.0902 2.1515   1.9025 1.1274 1.0902
H11 0.5114 1.0902 -2.1515   -2.2063 -0.1507 1.0902
H12 -1.0502 1.0949 1.3297   1.5816 -0.6078 1.0949
H13 -1.0502 1.0949 -1.3297   -0.9577 -1.3978 1.0949
H14 1.0287 -1.1317 -1.2644   -1.5129 0.6067 -1.1317
H15 1.0287 -1.1317 1.2644   0.9018 1.3579 -1.1317
H16 -0.5449 -1.1787 -2.0754   -1.8199 -1.1367 -1.1787
H17 -0.5449 -1.1787 2.0754   2.1436 0.0962 -1.1787
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0923 1.0959 1.5287 1.5287 2.5100 2.5100 2.8778 3.8307 2.1678 2.1678 2.1578 2.1578 2.7916 2.7916 3.4593 3.4593
H2 1.0923 1.7578 2.1668 2.1668 3.4612 3.4612 3.8545 4.8407 2.5274 2.5274 2.4714 2.4714 3.7947 3.7947 4.2951 4.2951
H3 1.0959 1.7578 2.1534 2.1534 2.8007 2.8007 3.3213 4.1359 2.4585 2.4585 3.0557 3.0557 2.6326 2.6326 3.8001 3.8001
C4 1.5287 2.1668 2.1534 2.5153 2.8997 1.5246 2.4393 3.3271 1.0927 3.4666 1.0935 2.8080 3.3143 2.1503 3.8860 2.1588
C5 1.5287 2.1668 2.1534 2.5153 1.5246 2.8997 2.4393 3.3271 3.4666 1.0927 2.8080 1.0935 2.1503 3.3143 2.1588 3.8860
C6 2.5100 3.4612 2.8007 2.8997 1.5246 2.4188 1.4561 2.0426 3.8802 2.1558 3.3192 2.1411 1.1048 2.7088 1.0919 3.3515
C7 2.5100 3.4612 2.8007 1.5246 2.8997 2.4188 1.4561 2.0426 2.1558 3.8802 2.1411 3.3192 2.7088 1.1048 3.3515 1.0919
N8 2.8778 3.8545 3.3213 2.4393 2.4393 1.4561 1.4561 1.0101 3.3845 3.3845 2.7043 2.7043 2.1332 2.1332 2.0809 2.0809
H9 3.8307 4.8407 4.1359 3.3271 3.3271 2.0426 2.0426 1.0101 4.1657 4.1657 3.5993 3.5993 2.4625 2.4625 2.3412 2.3412
H10 2.1678 2.5274 2.4585 1.0927 3.4666 3.8802 2.1558 3.3845 4.1657 4.3030 1.7646 3.8154 4.1077 2.4477 4.9122 2.5039
H11 2.1678 2.5274 2.4585 3.4666 1.0927 2.1558 3.8802 3.3845 4.1657 4.3030 3.8154 1.7646 2.4477 4.1077 2.5039 4.9122
H12 2.1578 2.4714 3.0557 1.0935 2.8080 3.3192 2.1411 2.7043 3.5993 1.7646 3.8154 2.6594 4.0011 3.0470 4.1254 2.4455
H13 2.1578 2.4714 3.0557 2.8080 1.0935 2.1411 3.3192 2.7043 3.5993 3.8154 1.7646 2.6594 3.0470 4.0011 2.4455 4.1254
H14 2.7916 3.7947 2.6326 3.3143 2.1503 1.1048 2.7088 2.1332 2.4625 4.1077 2.4477 4.0011 3.0470 2.5289 1.7709 3.6923
H15 2.7916 3.7947 2.6326 2.1503 3.3143 2.7088 1.1048 2.1332 2.4625 2.4477 4.1077 3.0470 4.0011 2.5289 3.6923 1.7709
H16 3.4593 4.2951 3.8001 3.8860 2.1588 1.0919 3.3515 2.0809 2.3412 4.9122 2.5039 4.1254 2.4455 1.7709 3.6923 4.1508
H17 3.4593 4.2951 3.8001 2.1588 3.8860 3.3515 1.0919 2.0809 2.3412 2.5039 4.9122 2.4455 4.1254 3.6923 1.7709 4.1508
Maximum atom distance is 4.9122Å 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 110.586 C1 C5 C6 110.586
C4 C1 C5 110.715 C4 C7 N8 109.824
C5 C6 N8 109.824 C6 N8 C7 112.313
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.473 C1 C4 H12 109.639
C1 C5 H11 110.473 C1 C5 H13 109.639
H2 C1 H3 106.895 H2 C1 C4 110.416
H2 C1 C5 110.416 H3 C1 C4 109.154
H3 C1 C5 109.154 C4 C7 H15 108.682
C4 C7 H17 110.096 C5 C6 H14 108.682
C5 C6 H16 110.096 C6 C5 H11 109.815
C6 C5 H13 108.615 C6 N8 H9 110.529
C7 C4 H10 109.815 C7 C4 H12 108.615
C7 N8 H9 110.529 N8 C6 H14 112.091
N8 C6 H16 108.665 N8 C7 H15 112.091
N8 C7 H17 108.665 H10 C4 H12 107.643
H11 C5 H13 107.643 H14 C6 H16 107.449
H15 C7 H17 107.449

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