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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

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6282 1.3308 0.0000   1.4563 0.0000 0.2111
H2 0.5472 2.4138 0.0000   2.4683 0.0000 -0.1833
H3 1.6928 1.1006 0.0000   1.5479 0.0000 1.2964
C4 -0.0155 0.7466 1.2595   0.7094 1.2595 -0.2333
C5 -0.0155 0.7466 -1.2595   0.7094 -1.2595 -0.2333
C6 -0.0155 -0.7777 -1.2103   -0.7482 -1.2103 0.2129
C7 -0.0155 -0.7777 1.2103   -0.7482 1.2103 0.2129
N8 -0.6799 -1.2311 0.0000   -1.3762 0.0000 -0.2897
H9 -0.7504 -2.2261 0.0000   -2.3482 0.0000 -0.0659
H10 0.5084 1.0878 2.1483   1.1890 2.1483 0.1677
H11 0.5084 1.0878 -2.1483   1.1890 -2.1483 0.1677
H12 -1.0430 1.0911 1.3391   0.7380 1.3391 -1.3167
H13 -1.0430 1.0911 -1.3391   0.7380 -1.3391 -1.3167
H14 1.0168 -1.1404 -1.2726   -0.7928 -1.2726 1.3061
H15 1.0168 -1.1404 1.2726   -0.7928 1.2726 1.3061
H16 -0.5464 -1.1797 -2.0664   -1.2880 -2.0664 -0.1772
H17 -0.5464 -1.1797 2.0664   -1.2880 2.0664 -0.1772
Atom - Atom Distances (Å)
  C1 H2 H3 C4 C5 C6 C7 N8 H9 H10 H11 H12 H13 H14 H15 H16 H17
C1 1.0861 1.0892 1.5303 1.5303 2.5149 2.5149 2.8764 3.8146 2.1653 2.1653 2.1549 2.1549 2.8067 2.8067 3.4572 3.4572
H2 1.0861 1.7427 2.1639 2.1639 3.4594 3.4594 3.8459 4.8179 2.5249 2.5249 2.4641 2.4641 3.8043 3.8043 4.2871 4.2871
H3 1.0892 1.7427 2.1517 2.1517 2.8126 2.8126 3.3265 4.1274 2.4532 2.4532 3.0459 3.0459 2.6643 2.6643 3.8057 3.8057
C4 1.5303 2.1639 2.1517 2.5191 2.9023 1.5252 2.4370 3.3111 1.0866 3.4647 1.0867 2.8156 3.3224 2.1510 3.8800 2.1549
C5 1.5303 2.1639 2.1517 2.5191 1.5252 2.9023 2.4370 3.3111 3.4647 1.0866 2.8156 1.0867 2.1510 3.3224 2.1549 3.8800
C6 2.5149 3.4594 2.8126 2.9023 1.5252 2.4205 1.4532 2.0255 3.8775 2.1528 3.3238 2.1366 1.0959 2.7133 1.0847 3.3437
C7 2.5149 3.4594 2.8126 1.5252 2.9023 2.4205 1.4532 2.0255 2.1528 3.8775 2.1366 3.3238 2.7133 1.0959 3.3437 1.0847
N8 2.8764 3.8459 3.3265 2.4370 2.4370 1.4532 1.4532 0.9975 3.3770 3.3770 2.7051 2.7051 2.1229 2.1229 2.0713 2.0713
H9 3.8146 4.8179 4.1274 3.3111 3.3111 2.0255 2.0255 0.9975 4.1451 4.1451 3.5892 3.5892 2.4334 2.4334 2.3252 2.3252
H10 2.1653 2.5249 2.4532 1.0866 3.4647 3.8775 2.1528 3.3770 4.1451 4.2967 1.7498 3.8169 4.1142 2.4475 4.9008 2.5022
H11 2.1653 2.5249 2.4532 3.4647 1.0866 2.1528 3.8775 3.3770 4.1451 4.2967 3.8169 1.7498 2.4475 4.1142 2.5022 4.9008
H12 2.1549 2.4641 3.0459 1.0867 2.8156 3.3238 2.1366 2.7051 3.5892 1.7498 3.8169 2.6782 4.0055 3.0376 4.1232 2.4356
H13 2.1549 2.4641 3.0459 2.8156 1.0867 2.1366 3.3238 2.7051 3.5892 3.8169 1.7498 2.6782 3.0376 4.0055 2.4356 4.1232
H14 2.8067 3.8043 2.6643 3.3224 2.1510 1.0959 2.7133 2.1229 2.4334 4.1142 2.4475 4.0055 3.0376 2.5453 1.7537 3.6871
H15 2.8067 3.8043 2.6643 2.1510 3.3224 2.7133 1.0959 2.1229 2.4334 2.4475 4.1142 3.0376 4.0055 2.5453 3.6871 1.7537
H16 3.4572 4.2871 3.8057 3.8800 2.1549 1.0847 3.3437 2.0713 2.3252 4.9008 2.5022 4.1232 2.4356 1.7537 3.6871 4.1328
H17 3.4572 4.2871 3.8057 2.1549 3.8800 3.3437 1.0847 2.0713 2.3252 2.5022 4.9008 2.4356 4.1232 3.6871 1.7537 4.1328
Maximum atom distance is 4.9008Å 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 110.787 C1 C5 C6 110.787
C4 C1 C5 110.785 C4 C7 N8 109.798
C5 C6 N8 109.798 C6 N8 C7 112.784
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H10 110.525 C1 C4 H12 109.692
C1 C5 H11 110.525 C1 C5 H13 109.692
H2 C1 H3 106.473 H2 C1 C4 110.444
H2 C1 C5 110.444 H3 C1 C4 109.294
H3 C1 C5 109.294 C4 C7 H15 109.205
C4 C7 H17 110.175 C5 C6 H14 109.205
C5 C6 H16 110.175 C6 C5 H11 109.890
C6 C5 H13 108.615 C6 N8 H9 110.091
C7 C4 H10 109.890 C7 C4 H12 108.615
C7 N8 H9 110.091 N8 C6 H14 112.013
N8 C6 H16 108.538 N8 C7 H15 112.013
N8 C7 H17 108.538 H10 C4 H12 107.245
H11 C5 H13 107.245 H14 C6 H16 107.070
H15 C7 H17 107.070

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