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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

B1B95/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6355 1.3206 0.0000   -0.1910 0.6062 1.3206
H2 0.5775 2.4194 0.0000   -0.1736 0.5508 2.4194
H3 1.7093 1.0632 0.0000   -0.5138 1.6302 1.0632
C4 -0.0136 0.7448 1.2540   1.2001 0.3639 0.7448
C5 -0.0136 0.7448 -1.2540   -1.1919 -0.3900 0.7448
C6 -0.0136 -0.7758 -1.2005   -1.1408 -0.3739 -0.7758
C7 -0.0136 -0.7758 1.2005   1.1490 0.3479 -0.7758
N8 -0.7031 -1.2168 0.0000   0.2113 -0.6706 -1.2168
H9 -0.7750 -2.2313 0.0000   0.2330 -0.7392 -2.2313
H10 0.5089 1.0911 2.1583   1.9055 1.1342 1.0911
H11 0.5089 1.0911 -2.1583   -2.2114 -0.1634 1.0911
H12 -1.0574 1.0908 1.3228   1.5795 -0.6109 1.0908
H13 -1.0574 1.0908 -1.3228   -0.9437 -1.4061 1.0908
H14 1.0409 -1.1338 -1.2420   -1.4974 0.6194 -1.1338
H15 1.0409 -1.1338 1.2420   0.8716 1.3661 -1.1338
H16 -0.5306 -1.1902 -2.0782   -1.8226 -1.1307 -1.1902
H17 -0.5306 -1.1902 2.0782   2.1415 0.1186 -1.1902
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.1002 1.1042 1.5250 1.5250 2.5016 2.5016 2.8689 3.8218 2.1741 2.1741 2.1607 2.1607 2.7805 2.7805 3.4617 3.4617
H2 1.1002 1.7664 2.1740 2.1740 3.4641 3.4641 3.8551 4.8434 2.5352 2.5352 2.4875 2.4875 3.7924 3.7924 4.3100 4.3100
H3 1.1042 1.7664 2.1546 2.1546 2.7914 2.7914 3.3193 4.1262 2.4698 2.4698 3.0668 3.0668 2.6108 2.6108 3.7966 3.7966
C4 1.5250 2.1740 2.1546 2.5080 2.8873 1.5216 2.4281 3.3180 1.1003 3.4694 1.1018 2.8016 3.2971 2.1544 3.8878 2.1658
C5 1.5250 2.1740 2.1546 2.5080 1.5216 2.8873 2.4281 3.3180 3.4694 1.1003 2.8016 1.1018 2.1544 3.2971 2.1658 3.8878
C6 2.5016 3.4641 2.7914 2.8873 1.5216 2.4009 1.4529 2.0345 3.8781 2.1624 3.3076 2.1421 1.1144 2.6843 1.0997 3.3449
C7 2.5016 3.4641 2.7914 1.5216 2.8873 2.4009 1.4529 2.0345 2.1624 3.8781 2.1421 3.3076 2.6843 1.1144 3.3449 1.0997
N8 2.8689 3.8551 3.3193 2.4281 2.4281 1.4529 1.4529 1.0171 3.3843 3.3843 2.6833 2.6833 2.1426 2.1426 2.0855 2.0855
H9 3.8218 4.8434 4.1262 3.3180 3.3180 2.0345 2.0345 1.0171 4.1647 4.1647 3.5869 3.5869 2.4586 2.4586 2.3372 2.3372
H10 2.1741 2.5352 2.4698 1.1003 3.4694 3.8781 2.1624 3.3843 4.1647 4.3166 1.7752 3.8172 4.0981 2.4643 4.9226 2.5082
H11 2.1741 2.5352 2.4698 3.4694 1.1003 2.1624 3.8781 3.3843 4.1647 4.3166 3.8172 1.7752 2.4643 4.0981 2.5082 4.9226
H12 2.1607 2.4875 3.0668 1.1018 2.8016 3.3076 2.1421 2.6833 3.5869 1.7752 3.8172 2.6456 3.9912 3.0591 4.1288 2.4599
H13 2.1607 2.4875 3.0668 2.8016 1.1018 2.1421 3.3076 2.6833 3.5869 3.8172 1.7752 2.6456 3.0591 3.9912 2.4599 4.1288
H14 2.7805 3.7924 2.6108 3.2971 2.1544 1.1144 2.6843 2.1426 2.4586 4.0981 2.4643 3.9912 3.0591 2.4839 1.7810 3.6737
H15 2.7805 3.7924 2.6108 2.1544 3.2971 2.6843 1.1144 2.1426 2.4586 2.4643 4.0981 3.0591 3.9912 2.4839 3.6737 1.7810
H16 3.4617 4.3100 3.7966 3.8878 2.1658 1.0997 3.3449 2.0855 2.3372 4.9226 2.5082 4.1288 2.4599 1.7810 3.6737 4.1563
H17 3.4617 4.3100 3.7966 2.1658 3.8878 3.3449 1.0997 2.0855 2.3372 2.5082 4.9226 2.4599 4.1288 3.6737 1.7810 4.1563
Maximum atom distance is 4.9226Å 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 110.393 C1 C5 C6 110.393
C4 C1 C5 110.632 C4 C7 N8 109.414
C5 C6 N8 109.414 C6 N8 C7 111.434
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.780 C1 C4 H12 109.635
C1 C5 H11 110.780 C1 C5 H13 109.635
H2 C1 H3 106.506 H2 C1 C4 110.772
H2 C1 C5 110.772 H3 C1 C4 109.021
H3 C1 C5 109.021 C4 C7 H15 108.646
C4 C7 H17 110.396 C5 C6 H14 108.646
C5 C6 H16 110.396 C6 C5 H11 110.086
C6 C5 H13 108.424 C6 N8 H9 109.653
C7 C4 H10 110.086 C7 C4 H12 108.424
C7 N8 H9 109.653 N8 C6 H14 112.476
N8 C6 H16 108.786 N8 C7 H15 112.476
N8 C7 H17 108.786 H10 C4 H12 107.445
H11 C5 H13 107.445 H14 C6 H16 107.102
H15 C7 H17 107.102

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