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Geometry for C5H11N (Piperidine) 1A' NH axial

1910171554
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 INChIKey=NQRYJNQNLNOLGT-UHFFFAOYSA-N

CID/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6407 1.3187 0.0000   -0.1959 0.6100 1.3187
H2 0.5751 2.4057 0.0000   -0.1759 0.5475 2.4057
H3 1.7044 1.0715 0.0000   -0.5212 1.6227 1.0715
C4 -0.0083 0.7407 1.2555   1.1979 0.3760 0.7407
C5 -0.0083 0.7407 -1.2555   -1.1928 -0.3918 0.7407
C6 -0.0083 -0.7864 -1.2065   -1.1462 -0.3769 -0.7864
C7 -0.0083 -0.7864 1.2065   1.1513 0.3610 -0.7864
N8 -0.6076 -1.3382 0.0000   0.1858 -0.5785 -1.3382
H9 -1.5941 -1.1410 0.0000   0.4875 -1.5177 -1.1410
H10 0.5080 1.0876 2.1506   1.8922 1.1413 1.0876
H11 0.5080 1.0876 -2.1506   -2.2029 -0.1740 1.0876
H12 -1.0384 1.0966 1.3295   1.5833 -0.5821 1.0966
H13 -1.0384 1.0966 -1.3295   -0.9483 -1.3952 1.0966
H14 1.0193 -1.1496 -1.2579   -1.5094 0.5858 -1.1496
H15 1.0193 -1.1496 1.2579   0.8860 1.3552 -1.1496
H16 -0.5274 -1.2010 -2.0684   -1.8080 -1.1346 -1.2010
H17 -0.5274 -1.2010 2.0684   2.1306 0.1304 -1.2010
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0890 1.0920 1.5269 1.5269 2.5116 2.5116 2.9355 3.3233 2.1671 2.1671 2.1532 2.1532 2.7961 2.7961 3.4629 3.4629
H2 1.0890 1.7479 2.1653 2.1653 3.4620 3.4620 3.9262 4.1575 2.5233 2.5233 2.4667 2.4667 3.7973 3.7973 4.3014 4.3014
H3 1.0920 1.7479 2.1492 2.1492 2.8002 2.8002 3.3394 3.9718 2.4610 2.4610 3.0481 3.0481 2.6429 2.6429 3.7978 3.7978
C4 1.5269 2.1653 2.1492 2.5109 2.8972 1.5279 2.5014 2.7626 1.0900 3.4624 1.0923 2.8053 3.3086 2.1516 3.8843 2.1681
C5 1.5269 2.1653 2.1492 2.5109 1.5279 2.8972 2.5014 2.7626 3.4624 1.0900 2.8053 1.0923 2.1516 3.3086 2.1681 3.8843
C6 2.5116 3.4620 2.8002 2.8972 1.5279 2.4130 1.4557 2.0239 3.8793 2.1610 3.3223 2.1498 1.0911 2.6947 1.0882 3.3416
C7 2.5116 3.4620 2.8002 1.5279 2.8972 2.4130 1.4557 2.0239 2.1610 3.8793 2.1498 3.3223 2.6947 1.0911 3.3416 1.0882
N8 2.9355 3.9262 3.3394 2.5014 2.5014 1.4557 1.4557 1.0060 3.4284 3.4284 2.8073 2.8073 2.0651 2.0651 2.0745 2.0745
H9 3.3233 4.1575 3.9718 2.7626 2.7626 2.0239 2.0239 1.0060 3.7431 3.7431 2.6614 2.6614 2.9004 2.9004 2.3280 2.3280
H10 2.1671 2.5233 2.4610 1.0900 3.4624 3.8793 2.1610 3.4284 3.7431 4.3012 1.7509 3.8082 4.1091 2.4624 4.9101 2.5132
H11 2.1671 2.5233 2.4610 3.4624 1.0900 2.1610 3.8793 3.4284 3.7431 4.3012 3.8082 1.7509 2.4624 4.1091 2.5132 4.9101
H12 2.1532 2.4667 3.0481 1.0923 2.8053 3.3223 2.1498 2.8073 2.6614 1.7509 3.8082 2.6590 3.9967 3.0470 4.1334 2.4669
H13 2.1532 2.4667 3.0481 2.8053 1.0923 2.1498 3.3223 2.8073 2.6614 3.8082 1.7509 2.6590 3.0470 3.9967 2.4669 4.1334
H14 2.7961 3.7973 2.6429 3.3086 2.1516 1.0911 2.6947 2.0651 2.9004 4.1091 2.4624 3.9967 3.0470 2.5159 1.7469 3.6687
H15 2.7961 3.7973 2.6429 2.1516 3.3086 2.6947 1.0911 2.0651 2.9004 2.4624 4.1091 3.0470 3.9967 2.5159 3.6687 1.7469
H16 3.4629 4.3014 3.7978 3.8843 2.1681 1.0882 3.3416 2.0745 2.3280 4.9101 2.5132 4.1334 2.4669 1.7469 3.6687 4.1368
H17 3.4629 4.3014 3.7978 2.1681 3.8843 3.3416 1.0882 2.0745 2.3280 2.5132 4.9101 2.4669 4.1334 3.6687 1.7469 4.1368
Maximum atom distance is 4.9101Å 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 110.607 C1 C5 C6 110.607
C4 C1 C5 110.616 C4 C7 N8 113.916
C5 C6 N8 113.916 C6 N8 C7 111.949
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.697 C1 C4 H12 109.468
C1 C5 H11 110.697 C1 C5 H13 109.468
H2 C1 H3 106.537 H2 C1 C4 110.621
H2 C1 C5 110.621 H3 C1 C4 109.170
H3 C1 C5 109.170 C4 C7 H15 109.339
C4 C7 H17 110.818 C5 C6 H14 109.339
C5 C6 H16 110.818 C6 C5 H11 110.143
C6 C5 H13 109.133 C6 N8 H9 109.231
C7 C4 H10 110.143 C7 C4 H12 109.133
C7 N8 H9 109.231 N8 C6 H14 107.494
N8 C6 H16 108.402 N8 C7 H15 107.494
N8 C7 H17 108.402 H10 C4 H12 106.700
H11 C5 H13 106.700 H14 C6 H16 106.564
H15 C7 H17 106.564

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