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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

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6710 1.3491 0.0000   -0.2040 0.6393 1.3491
H2 0.5959 2.4530 0.0000   -0.1812 0.5677 2.4530
H3 1.7462 1.0874 0.0000   -0.5309 1.6635 1.0874
C4 -0.0034 0.7621 1.2805   1.2209 0.3861 0.7621
C5 -0.0034 0.7621 -1.2805   -1.2188 -0.3926 0.7621
C6 -0.0034 -0.8061 -1.2340   -1.1745 -0.3785 -0.8061
C7 -0.0034 -0.8061 1.2340   1.1766 0.3719 -0.8061
N8 -0.6617 -1.4022 0.0000   0.2012 -0.6304 -1.4022
H9 -1.6387 -0.9861 0.0000   0.4983 -1.5611 -0.9861
H10 0.5293 1.1045 2.1875   1.9230 1.1693 1.1045
H11 0.5293 1.1045 -2.1875   -2.2448 -0.1609 1.1045
H12 -1.0469 1.1252 1.3481   1.6026 -0.5875 1.1252
H13 -1.0469 1.1252 -1.3481   -0.9659 -1.4073 1.1252
H14 1.0419 -1.1745 -1.2641   -1.5211 0.6082 -1.1745
H15 1.0419 -1.1745 1.2641   0.8875 1.3770 -1.1745
H16 -0.5319 -1.2077 -2.1222   -1.8600 -1.1520 -1.2077
H17 -0.5319 -1.2077 2.1222   2.1835 0.1385 -1.2077
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.1064 1.1066 1.5618 1.5618 2.5734 2.5734 3.0570 3.2845 2.2057 2.2057 2.1952 2.1952 2.8467 2.8467 3.5339 3.5339
H2 1.1064 1.7855 2.2041 2.2041 3.5360 3.5360 4.0551 4.1013 2.5706 2.5706 2.5058 2.5058 3.8672 3.8672 4.3791 4.3791
H3 1.1066 1.7855 2.1924 2.1924 2.8582 2.8582 3.4635 3.9695 2.5032 2.5032 3.1017 3.1017 2.6851 2.6851 3.8679 3.8679
C4 1.5618 2.2041 2.1924 2.5610 2.9634 1.5689 2.5994 2.7147 1.1062 3.5253 1.1070 2.8514 3.3642 2.2007 3.9671 2.2063
C5 1.5618 2.2041 2.1924 2.5610 1.5689 2.9634 2.5994 2.7147 3.5253 1.1062 2.8514 1.1070 2.2007 3.3642 2.2063 3.9671
C6 2.5734 3.5360 2.8582 2.9634 1.5689 2.4679 1.5203 2.0565 3.9548 2.2008 3.3891 2.1982 1.1088 2.7329 1.1089 3.4212
C7 2.5734 3.5360 2.8582 1.5689 2.9634 2.4679 1.5203 2.0565 2.2008 3.9548 2.1982 3.3891 2.7329 1.1088 3.4212 1.1089
N8 3.0570 4.0551 3.4635 2.5994 2.5994 1.5203 1.5203 1.0619 3.5337 3.5337 2.8902 2.8902 2.1336 2.1336 2.1350 2.1350
H9 3.2845 4.1013 3.9695 2.7147 2.7147 2.0565 2.0565 1.0619 3.7223 3.7223 2.5739 2.5739 2.9697 2.9697 2.4037 2.4037
H10 2.2057 2.5706 2.5032 1.1062 3.5253 3.9548 2.2008 3.5337 3.7223 4.3749 1.7859 3.8711 4.1677 2.5118 5.0046 2.5450
H11 2.2057 2.5706 2.5032 3.5253 1.1062 2.2008 3.9548 3.5337 3.7223 4.3749 3.8711 1.7859 2.5118 4.1677 2.5450 5.0046
H12 2.1952 2.5058 3.1017 1.1070 2.8514 3.3891 2.1982 2.8902 2.5739 1.7859 3.8711 2.6962 4.0590 3.1079 4.2132 2.5114
H13 2.1952 2.5058 3.1017 2.8514 1.1070 2.1982 3.3891 2.8902 2.5739 3.8711 1.7859 2.6962 3.1079 4.0590 2.5114 4.2132
H14 2.8467 3.8672 2.6851 3.3642 2.2007 1.1088 2.7329 2.1336 2.9697 4.1677 2.5118 4.0590 3.1079 2.5282 1.7929 3.7343
H15 2.8467 3.8672 2.6851 2.2007 3.3642 2.7329 1.1088 2.1336 2.9697 2.5118 4.1677 3.1079 4.0590 2.5282 3.7343 1.7929
H16 3.5339 4.3791 3.8679 3.9671 2.2063 1.1089 3.4212 2.1350 2.4037 5.0046 2.5450 4.2132 2.5114 1.7929 3.7343 4.2444
H17 3.5339 4.3791 3.8679 2.2063 3.9671 3.4212 1.1089 2.1350 2.4037 2.5450 5.0046 2.5114 4.2132 3.7343 1.7929 4.2444
Maximum atom distance is 5.0046Å 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 110.572 C1 C5 C6 110.572
C4 C1 C5 110.149 C4 C7 N8 114.580
C5 C6 N8 114.580 C6 N8 C7 108.519
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.359 C1 C4 H12 109.502
C1 C5 H11 110.359 C1 C5 H13 109.502
H2 C1 H3 107.573 H2 C1 C4 110.224
H2 C1 C5 110.224 H3 C1 C4 109.311
H3 C1 C5 109.311 C4 C7 H15 109.346
C4 C7 H17 109.772 C5 C6 H14 109.346
C5 C6 H16 109.772 C6 C5 H11 109.498
C6 C5 H13 109.253 C6 N8 H9 104.167
C7 C4 H10 109.498 C7 C4 H12 109.253
C7 N8 H9 104.167 N8 C6 H14 107.460
N8 C6 H16 107.567 N8 C7 H15 107.460
N8 C7 H17 107.567 H10 C4 H12 107.598
H11 C5 H13 107.598 H14 C6 H16 107.891
H15 C7 H17 107.891

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