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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/Def2TZVPP


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0487   0.0000 0.0000 0.0487
C2 -0.3187 1.3582 0.4586   0.3328 -1.3549 0.4586
C3 -1.0169 -0.9551 0.4586   -1.3397 0.3892 0.4586
C4 1.3356 -0.4031 0.4586   1.0069 0.9657 0.4586
C5 0.2795 2.4178 -0.4564   1.3469 -2.0272 -0.4564
C6 -2.2336 -0.9668 -0.4564   -2.4291 -0.1529 -0.4564
C7 1.9541 -1.4509 -0.4564   1.0821 2.1801 -0.4564
H8 -1.3934 1.4752 0.4497   -0.5716 -1.9471 0.4497
H9 -0.0030 1.5373 1.4896   0.6954 -1.3710 1.4896
H10 -0.5808 -1.9443 0.4497   -1.4004 1.4686 0.4497
H11 -1.3299 -0.7713 1.4896   -1.5351 0.0832 1.4896
H12 1.9742 0.4692 0.4497   1.9720 0.4785 0.4497
H13 1.3329 -0.7661 1.4896   0.8396 1.2878 1.4896
H14 1.3611 2.3739 -0.4815   2.2906 -1.4969 -0.4815
H15 -0.0831 2.2854 -1.4680   0.9638 -2.0739 -1.4680
H16 0.0000 3.4092 -0.1167   1.5482 -3.0374 -0.1167
H17 -2.7364 -0.0082 -0.4815   -2.4417 -1.2353 -0.4815
H18 -1.9377 -1.2147 -1.4680   -2.2780 0.2023 -1.4680
H19 -2.9525 -1.7046 -0.1167   -3.4046 0.1780 -0.1167
H20 1.3753 -2.3657 -0.4815   0.1511 2.7322 -0.4815
H21 2.0208 -1.0708 -1.4680   1.3142 1.8716 -1.4680
H22 2.9525 -1.7046 -0.1167   1.8564 2.8595 -0.1167
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 1.4541 1.4541 1.4541 2.4857 2.4857 2.4857 2.0685 2.1070 2.0685 2.1070 2.0685 2.1070 2.7873 2.7441 3.4132 2.7873 2.7441 3.4132 2.7873 2.7441 3.4132
C2 1.4541 2.4164 2.4164 1.5224 3.1480 3.7275 1.0811 1.0930 3.3130 2.5729 2.4593 2.8815 2.1765 2.1510 2.1539 2.9319 3.5990 4.0803 4.1978 3.8840 4.5181
C3 1.4541 2.4164 2.4164 3.7275 1.5224 3.1480 2.4593 2.8815 1.0811 1.0930 3.3130 2.5729 4.1978 3.8840 4.5181 2.1765 2.1510 2.1539 2.9319 3.5990 4.0803
C4 1.4541 2.4164 2.4164 3.1480 3.7275 1.5224 3.3130 2.5729 2.4593 2.8815 1.0811 1.0930 2.9319 3.5990 4.0803 4.1978 3.8840 4.5181 2.1765 2.1510 2.1539
C5 2.4857 1.5224 3.7275 3.1480 4.2156 4.2156 2.1233 2.1545 4.5375 4.0678 2.7368 3.8773 1.0828 1.0827 1.0847 3.8706 4.3742 5.2493 4.9074 4.0281 4.9249
C6 2.4857 3.1480 1.5224 3.7275 4.2156 4.2156 2.7368 3.8773 2.1232 2.1545 4.5375 4.0678 4.9074 4.0281 4.9249 1.0828 1.0827 1.0847 3.8706 4.3742 5.2493
C7 2.4857 3.7275 3.1480 1.5224 4.2156 4.2156 4.5375 4.0678 2.7368 3.8773 2.1232 2.1545 3.8706 4.3742 5.2493 4.9074 4.0281 4.9249 1.0828 1.0827 1.0847
H8 2.0685 1.0811 2.4593 3.3130 2.1233 2.7368 4.5375 1.7374 3.5147 2.4763 3.5147 3.6793 3.0434 2.4598 2.4501 2.2070 3.3479 3.5864 4.8255 4.6707 5.4147
H9 2.1070 1.0930 2.8815 2.5729 2.1545 3.8773 4.0678 1.7374 3.6793 2.6627 2.4763 2.6627 2.5388 3.0517 2.4666 3.7075 4.4792 4.6679 4.5846 4.4322 4.6717
H10 2.0685 3.3130 1.0811 2.4593 4.5375 2.1232 2.7368 3.5147 3.6793 1.7374 3.5147 2.4763 4.8255 4.6707 5.4147 3.0434 2.4598 2.4501 2.2070 3.3479 3.5864
H11 2.1070 2.5729 1.0930 2.8815 4.0678 2.1545 3.8773 2.4763 2.6627 1.7374 3.6793 2.6627 4.5846 4.4322 4.6717 2.5388 3.0517 2.4666 3.7075 4.4792 4.6679
H12 2.0685 2.4593 3.3130 1.0811 2.7368 4.5375 2.1232 3.5147 2.4763 3.5147 3.6793 1.7374 2.2070 3.3479 3.5864 4.8255 4.6707 5.4147 3.0434 2.4598 2.4501
H13 2.1070 2.8815 2.5729 1.0930 3.8773 4.0678 2.1545 3.6793 2.6627 2.4763 2.6627 1.7374 3.7075 4.4792 4.6679 4.5846 4.4322 4.6717 2.5388 3.0517 2.4666
H14 2.7873 2.1765 4.1978 2.9319 1.0828 4.9074 3.8706 3.0434 2.5388 4.8255 4.5846 2.2070 3.7075 1.7511 1.7486 4.7396 4.9732 5.9476 4.7396 3.6433 4.3932
H15 2.7441 2.1510 3.8840 3.5990 1.0827 4.0281 4.3742 2.4598 3.0517 4.6707 4.4322 3.3479 4.4792 1.7511 1.7595 3.6433 3.9611 5.0970 4.9732 3.9611 5.1924
H16 3.4132 2.1539 4.5181 4.0803 1.0847 4.9249 5.2493 2.4501 2.4666 5.4147 4.6717 3.5864 4.6679 1.7486 1.7595 4.3932 5.1924 5.9050 5.9476 5.0970 5.9050
H17 2.7873 2.9319 2.1765 4.1978 3.8706 1.0828 4.9074 2.2070 3.7075 3.0434 2.5388 4.8255 4.5846 4.7396 3.6433 4.3932 1.7511 1.7486 4.7396 4.9732 5.9476
H18 2.7441 3.5990 2.1510 3.8840 4.3742 1.0827 4.0281 3.3479 4.4792 2.4598 3.0517 4.6707 4.4322 4.9732 3.9611 5.1924 1.7511 1.7595 3.6433 3.9611 5.0970
H19 3.4132 4.0803 2.1539 4.5181 5.2493 1.0847 4.9249 3.5864 4.6679 2.4501 2.4666 5.4147 4.6717 5.9476 5.0970 5.9050 1.7486 1.7595 4.3932 5.1924 5.9050
H20 2.7873 4.1978 2.9319 2.1765 4.9074 3.8706 1.0828 4.8255 4.5846 2.2070 3.7075 3.0434 2.5388 4.7396 4.9732 5.9476 4.7396 3.6433 4.3932 1.7511 1.7486
H21 2.7441 3.8840 3.5990 2.1510 4.0281 4.3742 1.0827 4.6707 4.4322 3.3479 4.4792 2.4598 3.0517 3.6433 3.9611 5.0970 4.9732 3.9611 5.1924 1.7511 1.7595
H22 3.4132 4.5181 4.0803 2.1539 4.9249 5.2493 1.0847 5.4147 4.6717 3.5864 4.6679 2.4501 2.4666 4.3932 5.1924 5.9050 5.9476 5.0970 5.9050 1.7486 1.7595
Maximum atom distance is 5.9476Å between atoms H17 and H22.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 113.233 N1 C3 C6 113.233
N1 C4 C7 113.233 C2 N1 C3 112.381
C2 N1 C4 112.381 C3 N1 C4 112.381
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.455 N1 C2 H9 110.835
N1 C3 H10 108.455 N1 C3 H11 110.835
N1 C4 H12 108.455 N1 C4 H13 110.835
C2 C5 H14 112.225 C2 C5 H15 110.174
C2 C5 H16 110.283 C3 C6 H17 112.225
C3 C6 H18 110.174 C3 C6 H19 110.283
C4 C7 H20 112.225 C4 C7 H21 110.174
C4 C7 H22 110.283 C5 C2 H8 108.081
C5 C2 H9 109.838 C6 C3 H10 108.081
C6 C3 H11 109.838 C7 C4 H12 108.081
C7 C4 H13 109.838 H8 C2 H9 106.098
H10 C3 H11 106.098 H12 C4 H13 106.098
H14 C5 H15 107.933 H14 C5 H16 107.560
H15 C5 H16 108.546 H17 C6 H18 107.932
H17 C6 H19 107.560 H18 C6 H19 108.546
H20 C7 H21 107.933 H20 C7 H22 107.560
H21 C7 H22 108.546

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