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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

QCISD/6-31G(2df,p)


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0023   0.0000 0.0000 0.0023
C2 0.3320 1.3526 -0.4479   -0.5139 -1.2945 -0.4479
C3 1.0054 -0.9639 -0.4479   1.3780 0.2022 -0.4479
C4 -1.3374 -0.3888 -0.4479   -0.8641 1.0923 -0.4479
C5 -0.2972 2.4279 0.4350   -1.6501 -1.8056 0.4350
C6 2.2512 -0.9566 0.4350   2.3888 -0.5262 0.4350
C7 -1.9541 -1.4713 0.4350   -0.7386 2.3318 0.4350
H8 1.4176 1.4679 -0.4078   0.3036 -2.0179 -0.4078
H9 0.0436 1.5037 -1.5031   -0.8365 -1.2503 -1.5031
H10 0.5624 -1.9616 -0.4078   1.5958 1.2719 -0.4078
H11 1.2804 -0.7896 -1.5031   1.5010 -0.0993 -1.5031
H12 -1.9800 0.4937 -0.4078   -1.8994 0.7460 -0.4078
H13 -1.3240 -0.7140 -1.5031   -0.6646 1.3496 -1.5031
H14 -1.3886 2.3866 0.4204   -2.5153 -1.1390 0.4204
H15 0.0303 2.2986 1.4686   -1.3083 -1.8902 1.4686
H16 0.0000 3.4236 0.0943   -1.9855 -2.7891 0.0943
H17 2.7611 0.0093 0.4204   2.2440 -1.6088 0.4204
H18 1.9755 -1.1756 1.4686   2.2911 -0.1879 1.4686
H19 2.9649 -1.7118 0.0943   3.4081 -0.3249 0.0943
H20 -1.3725 -2.3958 0.4204   0.2713 2.7478 0.4204
H21 -2.0058 -1.1230 1.4686   -0.9828 2.0781 1.4686
H22 -2.9649 -1.7118 0.0943   -1.4227 3.1140 0.0943
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 1.4637 1.4637 1.4637 2.4840 2.4840 2.4840 2.0814 2.1281 2.0814 2.1281 2.0814 2.1281 2.7926 2.7266 3.4248 2.7926 2.7266 3.4248 2.7926 2.7266 3.4248
C2 1.4637 2.4124 2.4124 1.5270 3.1297 3.7390 1.0924 1.1042 3.3225 2.5694 2.4668 2.8508 2.1872 2.1585 2.1664 2.9084 3.5729 4.0764 4.2084 3.9074 4.5337
C3 1.4637 2.4124 2.4124 3.7390 1.5270 3.1298 2.4668 2.8508 1.0924 1.1042 3.3225 2.5694 4.2084 3.9074 4.5337 2.1872 2.1585 2.1664 2.9084 3.5729 4.0764
C4 1.4637 2.4124 2.4124 3.1298 3.7390 1.5270 3.3225 2.5694 2.4668 2.8508 1.0924 1.1042 2.9085 3.5729 4.0764 4.2084 3.9074 4.5337 2.1872 2.1585 2.1664
C5 2.4840 1.5270 3.7390 3.1298 4.2367 4.2367 2.1383 2.1740 4.5516 4.0740 2.6988 3.8318 1.0923 1.0920 1.0935 3.8991 4.3839 5.2815 4.9422 4.0740 4.9366
C6 2.4840 3.1297 1.5270 3.7390 4.2367 4.2367 2.6988 3.8318 2.1383 2.1740 4.5516 4.0740 4.9422 4.0740 4.9366 1.0923 1.0920 1.0935 3.8991 4.3839 5.2815
C7 2.4840 3.7390 3.1298 1.5270 4.2367 4.2367 4.5516 4.0740 2.6988 3.8318 2.1383 2.1740 3.8991 4.3839 5.2815 4.9422 4.0740 4.9366 1.0923 1.0920 1.0935
H8 2.0814 1.0924 2.4668 3.3225 2.1383 2.6988 4.5516 1.7575 3.5345 2.5129 3.5345 3.6711 3.0667 2.4770 2.4671 2.1491 3.2894 3.5716 4.8373 4.6854 5.4377
H9 2.1281 1.1042 2.8508 2.5694 2.1740 3.8318 4.0740 1.7575 3.6711 2.6055 2.5129 2.6055 2.5555 3.0762 2.4979 3.6494 4.4431 4.6287 4.5729 4.4644 4.6843
H10 2.0814 3.3225 1.0924 2.4668 4.5516 2.1383 2.6988 3.5345 3.6711 1.7575 3.5345 2.5129 4.8373 4.6854 5.4377 3.0667 2.4770 2.4671 2.1491 3.2894 3.5716
H11 2.1281 2.5694 1.1042 2.8508 4.0740 2.1740 3.8318 2.5129 2.6055 1.7575 3.6711 2.6055 4.5729 4.4644 4.6843 2.5555 3.0762 2.4979 3.6494 4.4431 4.6287
H12 2.0814 2.4668 3.3225 1.0924 2.6988 4.5516 2.1383 3.5345 2.5129 3.5345 3.6711 1.7575 2.1491 3.2894 3.5716 4.8373 4.6854 5.4377 3.0667 2.4770 2.4671
H13 2.1281 2.8508 2.5694 1.1042 3.8318 4.0740 2.1740 3.6711 2.6055 2.5129 2.6055 1.7575 3.6494 4.4431 4.6287 4.5729 4.4644 4.6843 2.5555 3.0762 2.4979
H14 2.7926 2.1872 4.2084 2.9085 1.0923 4.9422 3.8991 3.0667 2.5555 4.8373 4.5729 2.1491 3.6494 1.7663 1.7635 4.7824 5.0104 5.9880 4.7824 3.7144 4.4031
H15 2.7266 2.1585 3.9074 3.5729 1.0920 4.0740 4.3839 2.4770 3.0762 4.6854 4.4644 3.2894 4.4431 1.7663 1.7763 3.7144 3.9816 5.1559 5.0104 3.9816 5.1907
H16 3.4248 2.1664 4.5337 4.0764 1.0935 4.9366 5.2815 2.4671 2.4979 5.4377 4.6843 3.5716 4.6287 1.7635 1.7763 4.4031 5.1907 5.9299 5.9880 5.1559 5.9299
H17 2.7926 2.9084 2.1872 4.2084 3.8991 1.0923 4.9422 2.1491 3.6494 3.0667 2.5555 4.8373 4.5729 4.7824 3.7144 4.4031 1.7663 1.7635 4.7824 5.0104 5.9880
H18 2.7266 3.5729 2.1585 3.9074 4.3839 1.0920 4.0740 3.2894 4.4431 2.4770 3.0762 4.6854 4.4644 5.0104 3.9816 5.1907 1.7663 1.7763 3.7144 3.9816 5.1559
H19 3.4248 4.0764 2.1664 4.5337 5.2815 1.0935 4.9366 3.5716 4.6287 2.4671 2.4979 5.4377 4.6843 5.9880 5.1559 5.9299 1.7635 1.7763 4.4031 5.1907 5.9299
H20 2.7926 4.2084 2.9084 2.1872 4.9422 3.8991 1.0923 4.8373 4.5729 2.1491 3.6494 3.0667 2.5555 4.7824 5.0104 5.9880 4.7824 3.7144 4.4031 1.7663 1.7635
H21 2.7266 3.9074 3.5729 2.1585 4.0740 4.3839 1.0920 4.6854 4.4644 3.2894 4.4431 2.4770 3.0762 3.7144 3.9816 5.1559 5.0104 3.9816 5.1907 1.7663 1.7763
H22 3.4248 4.5337 4.0764 2.1664 4.9366 5.2815 1.0935 5.4377 4.6843 3.5716 4.6287 2.4671 2.4979 4.4031 5.1907 5.9299 5.9880 5.1559 5.9299 1.7635 1.7763
Maximum atom distance is 5.9880Å between atoms H16 and H20.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 112.298 N1 C3 C6 112.298
N1 C4 C7 112.298 C2 N1 C3 110.984
C2 N1 C4 110.984 C3 N1 C4 110.984
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.156 N1 C2 H9 111.165
N1 C3 H10 108.156 N1 C3 H11 111.165
N1 C4 H12 108.156 N1 C4 H13 111.165
C2 C5 H14 112.172 C2 C5 H15 109.897
C2 C5 H16 110.432 C3 C6 H17 112.172
C3 C6 H18 109.897 C3 C6 H19 110.432
C4 C7 H20 112.172 C4 C7 H21 109.897
C4 C7 H22 110.432 C5 C2 H8 108.298
C5 C2 H9 110.398 C6 C3 H10 108.298
C6 C3 H11 110.398 C7 C4 H12 108.298
C7 C4 H13 110.399 H8 C2 H9 106.274
H10 C3 H11 106.274 H12 C4 H13 106.274
H14 C5 H15 107.926 H14 C5 H16 107.570
H15 C5 H16 108.736 H17 C6 H18 107.926
H17 C6 H19 107.570 H18 C6 H19 108.736
H20 C7 H21 107.926 H20 C7 H22 107.570
H21 C7 H22 108.737

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