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Geometry for C6H15N (triethylamine) 1A C3

1910171554
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 INChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N

HF/6-31G


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.1704   0.0000 -0.0000 0.1704
C2 -0.3076 1.3918 0.5022   -1.2956 -0.5942 0.5022
C3 -1.0515 -0.9623 0.5022   1.1624 -0.8250 0.5022
C4 1.3591 -0.4295 0.5022   0.1333 1.4191 0.5022
C5 0.2583 2.3754 -0.5184   -2.3765 -0.2484 -0.5184
C6 -2.1863 -0.9640 -0.5184   1.4034 -1.9339 -0.5184
C7 1.9280 -1.4114 -0.5184   0.9731 2.1823 -0.5184
H8 -1.3838 1.5027 0.5291   -1.1771 -1.6696 0.5291
H9 0.0510 1.6441 1.5035   -1.6179 -0.2968 1.5035
H10 -0.6095 -1.9498 0.5291   2.0345 -0.1846 0.5291
H11 -1.4493 -0.7779 1.5035   1.0660 -1.2527 1.5035
H12 1.9933 0.4471 0.5291   -0.8573 1.8542 0.5291
H13 1.3983 -0.8662 1.5035   0.5519 1.5495 1.5035
H14 1.3386 2.3144 -0.5795   -2.5446 0.8204 -0.5795
H15 -0.1426 2.1596 -1.5008   -2.0810 -0.5948 -1.5008
H16 0.0000 3.3957 -0.2530   -3.3193 -0.7161 -0.2530
H17 -2.6736 0.0020 -0.5795   0.5618 -2.6139 -0.5795
H18 -1.7990 -1.2033 -1.5008   1.5556 -1.5048 -1.5008
H19 -2.9408 -1.6979 -0.2530   2.2798 -2.5166 -0.2530
H20 1.3350 -2.3164 -0.5795   1.9828 1.7935 -0.5795
H21 1.9416 -0.9564 -1.5008   0.5254 2.0996 -1.5008
H22 2.9408 -1.6979 -0.2530   1.0395 3.2327 -0.2530
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22
N1 1.4635 1.4635 1.4635 2.4867 2.4867 2.4867 2.0741 2.1172 2.0741 2.1172 2.0741 2.1172 2.7768 2.7345 3.4220 2.7768 2.7345 3.4220 2.7768 2.7345 3.4220
C2 1.4635 2.4688 2.4688 1.5262 3.1814 3.7279 1.0823 1.0930 3.3553 2.6483 2.4874 3.0019 2.1751 2.1515 2.1635 2.9495 3.6015 4.1292 4.1975 3.8190 4.5462
C3 1.4635 2.4688 2.4688 3.7279 1.5262 3.1814 2.4874 3.0019 1.0823 1.0930 3.3553 2.6483 4.1975 3.8190 4.5462 2.1751 2.1515 2.1635 2.9495 3.6015 4.1292
C4 1.4635 2.4688 2.4688 3.1814 3.7279 1.5262 3.3553 2.6483 2.4874 3.0019 1.0823 1.0930 2.9495 3.6015 4.1292 4.1975 3.8190 4.5462 2.1751 2.1515 2.1635
C5 2.4867 1.5262 3.7279 3.1814 4.1386 4.1386 2.1343 2.1601 4.5340 4.1167 2.7975 3.9870 1.0837 1.0827 1.0854 3.7726 4.2432 5.1861 4.8142 3.8599 4.8844
C6 2.4867 3.1814 1.5262 3.7279 4.1386 4.1386 2.7975 3.9870 2.1343 2.1601 4.5340 4.1167 4.8142 3.8599 4.8844 1.0837 1.0827 1.0854 3.7726 4.2432 5.1861
C7 2.4867 3.7279 3.1814 1.5262 4.1386 4.1386 4.5340 4.1167 2.7975 3.9870 2.1343 2.1601 3.7726 4.2432 5.1861 4.8142 3.8599 4.8844 1.0837 1.0827 1.0854
H8 2.0741 1.0823 2.4874 3.3553 2.1343 2.7975 4.5340 1.7401 3.5383 2.4809 3.5383 3.7817 3.0494 2.4684 2.4719 2.2681 3.4081 3.6441 4.8173 4.6071 5.4367
H9 2.1172 1.0930 3.0019 2.6483 2.1601 3.9870 4.1167 1.7401 3.7817 2.8490 2.4809 2.8490 2.5388 3.0543 2.4812 3.8024 4.5339 4.8171 4.6554 4.4002 4.7544
H10 2.0741 3.3553 1.0823 2.4874 4.5340 2.1343 2.7975 3.5383 3.7817 1.7401 3.5383 2.4809 4.8173 4.6071 5.4367 3.0494 2.4684 2.4719 2.2681 3.4081 3.6441
H11 2.1172 2.6483 1.0930 3.0019 4.1167 2.1601 3.9870 2.4809 2.8490 1.7401 3.7817 2.8490 4.6554 4.4002 4.7544 2.5388 3.0543 2.4812 3.8024 4.5339 4.8171
H12 2.0741 2.4874 3.3553 1.0823 2.7975 4.5340 2.1343 3.5383 2.4809 3.5383 3.7817 1.7401 2.2681 3.4081 3.6441 4.8173 4.6071 5.4367 3.0494 2.4684 2.4719
H13 2.1172 3.0019 2.6483 1.0930 3.9870 4.1167 2.1601 3.7817 2.8490 2.4809 2.8490 1.7401 3.8024 4.5339 4.8171 4.6554 4.4002 4.7544 2.5388 3.0543 2.4812
H14 2.7768 2.1751 4.1975 2.9495 1.0837 4.8142 3.7726 3.0494 2.5388 4.8173 4.6554 2.2681 3.8024 1.7512 1.7514 4.6308 4.8028 5.8751 4.6308 3.4511 4.3326
H15 2.7345 2.1515 3.8190 3.6015 1.0827 3.8599 4.2432 2.4684 3.0543 4.6071 4.4002 3.4081 4.5339 1.7512 1.7621 3.4511 3.7487 4.9262 4.8028 3.7487 5.0935
H16 3.4220 2.1635 4.5462 4.1292 1.0854 4.8844 5.1861 2.4719 2.4812 5.4367 4.7544 3.6441 4.8171 1.7514 1.7621 4.3326 5.0935 5.8815 5.8751 4.9262 5.8815
H17 2.7768 2.9495 2.1751 4.1975 3.7726 1.0837 4.8142 2.2681 3.8024 3.0494 2.5388 4.8173 4.6554 4.6308 3.4511 4.3326 1.7512 1.7514 4.6308 4.8028 5.8751
H18 2.7345 3.6015 2.1515 3.8190 4.2432 1.0827 3.8599 3.4081 4.5339 2.4684 3.0543 4.6071 4.4002 4.8028 3.7487 5.0935 1.7512 1.7621 3.4511 3.7487 4.9262
H19 3.4220 4.1292 2.1635 4.5462 5.1861 1.0854 4.8844 3.6441 4.8171 2.4719 2.4812 5.4367 4.7544 5.8751 4.9262 5.8815 1.7514 1.7621 4.3326 5.0935 5.8815
H20 2.7768 4.1975 2.9495 2.1751 4.8142 3.7726 1.0837 4.8173 4.6554 2.2681 3.8024 3.0494 2.5388 4.6308 4.8028 5.8751 4.6308 3.4511 4.3326 1.7512 1.7514
H21 2.7345 3.8190 3.6015 2.1515 3.8599 4.2432 1.0827 4.6071 4.4002 3.4081 4.5339 2.4684 3.0543 3.4511 3.7487 4.9262 4.8028 3.7487 5.0935 1.7512 1.7621
H22 3.4220 4.5462 4.1292 2.1635 4.8844 5.1861 1.0854 5.4367 4.7544 3.6441 4.8171 2.4719 2.4812 4.3326 5.0935 5.8815 5.8751 4.9262 5.8815 1.7514 1.7621
Maximum atom distance is 5.8815Å between atoms H16 and H19.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 112.543 N1 C3 C6 112.543
N1 C4 C7 112.543 C2 N1 C3 115.018
C2 N1 C4 115.018 C3 N1 C4 115.018
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.185 N1 C2 H9 110.991
N1 C3 H10 108.185 N1 C3 H11 110.991
N1 C4 H12 108.185 N1 C4 H13 110.991
C2 C5 H14 111.774 C2 C5 H15 109.941
C2 C5 H16 110.738 C3 C6 H17 111.774
C3 C6 H18 109.941 C3 C6 H19 110.738
C4 C7 H20 111.774 C4 C7 H21 109.941
C4 C7 H22 110.738 C5 C2 H8 108.618
C5 C2 H9 110.010 C6 C3 H10 108.618
C6 C3 H11 110.010 C7 C4 H12 108.618
C7 C4 H13 110.010 H8 C2 H9 106.250
H10 C3 H11 106.250 H12 C4 H13 106.250
H14 C5 H15 107.861 H14 C5 H16 107.693
H15 C5 H16 108.726 H17 C6 H18 107.861
H17 C6 H19 107.693 H18 C6 H19 108.726
H20 C7 H21 107.861 H20 C7 H22 107.693
H21 C7 H22 108.726

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