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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

B3LYP/SDD


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0494   0.0000 0.0000 0.0494
C2 -0.3429 1.3871 0.4534   -1.1035 -0.9078 0.4534
C3 -1.0298 -0.9905 0.4534   -0.2344 1.4095 0.4534
C4 1.3727 -0.3966 0.4534   1.3379 -0.5017 0.4534
C5 0.3016 2.4549 -0.4503   -1.2242 -2.1491 -0.4503
C6 -2.2768 -0.9662 -0.4503   -1.2491 2.1348 -0.4503
C7 1.9752 -1.4887 -0.4503   2.4733 0.0144 -0.4503
H8 -1.4321 1.4979 0.3935   -2.0432 -0.3461 0.3935
H9 -0.0668 1.5767 1.5129   -0.9952 -1.2247 1.5129
H10 -0.5812 -1.9891 0.3935   0.7219 1.9425 0.3935
H11 -1.3321 -0.8462 1.5129   -0.5631 1.4743 1.5129
H12 2.0132 0.4913 0.3935   1.3213 -1.5964 0.3935
H13 1.3989 -0.7305 1.5129   1.5583 -0.2495 1.5129
H14 1.3976 2.4107 -0.4198   -0.3188 -2.7683 -0.4198
H15 -0.0129 2.3057 -1.4897   -1.3874 -1.8416 -1.4897
H16 0.0000 3.4621 -0.1305   -2.0677 -2.7768 -0.1305
H17 -2.7865 0.0050 -0.4198   -2.2380 1.6602 -0.4198
H18 -1.9903 -1.1641 -1.4897   -0.9012 2.1224 -1.4897
H19 -2.9983 -1.7311 -0.1305   -1.3710 3.1791 -0.1305
H20 1.3890 -2.4157 -0.4198   2.5568 1.1080 -0.4198
H21 2.0033 -1.1417 -1.4897   2.2886 -0.2807 -1.4897
H22 2.9983 -1.7311 -0.1305   3.4387 -0.4022 -0.1305
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 1.4849 1.4849 1.4849 2.5233 2.5233 2.5233 2.1007 2.1523 2.1007 2.1523 2.1007 2.1523 2.8258 2.7722 3.4668 2.8258 2.7722 3.4668 2.8258 2.7722 3.4668
C2 1.4849 2.4749 2.4749 1.5402 3.1773 3.8027 1.0964 1.1112 3.3852 2.6625 2.5214 2.9395 2.1999 2.1745 2.1827 2.9401 3.6053 4.1370 4.2689 3.9592 4.6073
C3 1.4849 2.4749 2.4749 3.8027 1.5402 3.1773 2.5214 2.9395 1.0964 1.1112 3.3852 2.6625 4.2689 3.9592 4.6073 2.1999 2.1745 2.1827 2.9401 3.6053 4.1370
C4 1.4849 2.4749 2.4749 3.1773 3.8027 1.5402 3.3852 2.6625 2.5214 2.9395 1.0964 1.1112 2.9401 3.6053 4.1370 4.2689 3.9592 4.6073 2.1999 2.1745 2.1827
C5 2.5233 1.5402 3.8027 3.1773 4.2840 4.2840 2.1526 2.1820 4.6088 4.1738 2.7381 3.8994 1.0973 1.0962 1.0990 3.9421 4.4080 5.3398 4.9906 4.1123 4.9896
C6 2.5233 3.1773 1.5402 3.8027 4.2840 4.2840 2.7381 3.8994 2.1526 2.1820 4.6088 4.1738 4.9906 4.1123 4.9896 1.0973 1.0962 1.0990 3.9421 4.4080 5.3398
C7 2.5233 3.8027 3.1773 1.5402 4.2840 4.2840 4.6088 4.1738 2.7381 3.8994 2.1526 2.1820 3.9421 4.4080 5.3398 4.9906 4.1123 4.9896 1.0973 1.0962 1.0990
H8 2.1007 1.0964 2.5214 3.3852 2.1526 2.7381 4.6088 1.7673 3.5893 2.5996 3.5893 3.7727 3.0825 2.4926 2.4867 2.1737 3.3082 3.6268 4.8924 4.7239 5.5071
H9 2.1523 1.1112 2.9395 2.6625 2.1820 3.8994 4.1738 1.7673 3.7727 2.7334 2.5996 2.7334 2.5643 3.0904 2.5020 3.6882 4.4976 4.7155 4.6684 4.5487 4.7997
H10 2.1007 3.3852 1.0964 2.5214 4.6088 2.1526 2.7381 3.5893 3.7727 1.7673 3.5893 2.5996 4.8924 4.7239 5.5071 3.0825 2.4926 2.4867 2.1737 3.3082 3.6268
H11 2.1523 2.6625 1.1112 2.9395 4.1738 2.1820 3.8994 2.5996 2.7334 1.7673 3.7727 2.7334 4.6684 4.5487 4.7997 2.5643 3.0904 2.5020 3.6882 4.4976 4.7155
H12 2.1007 2.5214 3.3852 1.0964 2.7381 4.6088 2.1526 3.5893 2.5996 3.5893 3.7727 1.7673 2.1737 3.3082 3.6268 4.8924 4.7239 5.5071 3.0825 2.4926 2.4867
H13 2.1523 2.9395 2.6625 1.1112 3.8994 4.1738 2.1820 3.7727 2.7334 2.5996 2.7334 1.7673 3.6882 4.4976 4.7155 4.6684 4.5487 4.7997 2.5643 3.0904 2.5020
H14 2.8258 2.1999 4.2689 2.9401 1.0973 4.9906 3.9421 3.0825 2.5643 4.8924 4.6684 2.1737 3.6882 1.7735 1.7727 4.8264 5.0400 6.0466 4.8264 3.7591 4.4498
H15 2.7722 2.1745 3.9592 3.6053 1.0962 4.1123 4.4080 2.4926 3.0904 4.7239 4.5487 3.3082 4.4976 1.7735 1.7846 3.7591 3.9937 5.2015 5.0400 3.9937 5.2164
H16 3.4668 2.1827 4.6073 4.1370 1.0990 4.9896 5.3398 2.4867 2.5020 5.5071 4.7997 3.6268 4.7155 1.7727 1.7846 4.4498 5.2164 5.9965 6.0466 5.2015 5.9965
H17 2.8258 2.9401 2.1999 4.2689 3.9421 1.0973 4.9906 2.1737 3.6882 3.0825 2.5643 4.8924 4.6684 4.8264 3.7591 4.4498 1.7735 1.7727 4.8264 5.0400 6.0466
H18 2.7722 3.6053 2.1745 3.9592 4.4080 1.0962 4.1123 3.3082 4.4976 2.4926 3.0904 4.7239 4.5487 5.0400 3.9937 5.2164 1.7735 1.7846 3.7591 3.9937 5.2015
H19 3.4668 4.1370 2.1827 4.6073 5.3398 1.0990 4.9896 3.6268 4.7155 2.4867 2.5020 5.5071 4.7997 6.0466 5.2015 5.9965 1.7727 1.7846 4.4498 5.2164 5.9965
H20 2.8258 4.2689 2.9401 2.1999 4.9906 3.9421 1.0973 4.8924 4.6684 2.1737 3.6882 3.0825 2.5643 4.8264 5.0400 6.0466 4.8264 3.7591 4.4498 1.7735 1.7727
H21 2.7722 3.9592 3.6053 2.1745 4.1123 4.4080 1.0962 4.7239 4.5487 3.3082 4.4976 2.4926 3.0904 3.7591 3.9937 5.2015 5.0400 3.9937 5.2164 1.7735 1.7846
H22 3.4668 4.6073 4.1370 2.1827 4.9896 5.3398 1.0990 5.5071 4.7997 3.6268 4.7155 2.4867 2.5020 4.4498 5.2164 5.9965 6.0466 5.2015 5.9965 1.7727 1.7846
Maximum atom distance is 6.0466Å 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 113.036 N1 C3 C6 113.036
N1 C4 C7 113.036 C2 N1 C3 112.889
C2 N1 C4 112.889 C3 N1 C4 112.889
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 107.991 N1 C2 H9 111.188
N1 C3 H10 107.991 N1 C3 H11 111.188
N1 C4 H12 107.991 N1 C4 H13 111.188
C2 C5 H14 111.948 C2 C5 H15 109.995
C2 C5 H16 110.473 C3 C6 H17 111.948
C3 C6 H18 109.995 C3 C6 H19 110.473
C4 C7 H20 111.948 C4 C7 H21 109.995
C4 C7 H22 110.473 C5 C2 H8 108.278
C5 C2 H9 109.707 C6 C3 H10 108.278
C6 C3 H11 109.707 C7 C4 H12 108.278
C7 C4 H13 109.707 H8 C2 H9 106.363
H10 C3 H11 106.363 H12 C4 H13 106.363
H14 C5 H15 107.908 H14 C5 H16 107.635
H15 C5 H16 108.778 H17 C6 H18 107.908
H17 C6 H19 107.634 H18 C6 H19 108.778
H20 C7 H21 107.908 H20 C7 H22 107.635
H21 C7 H22 108.778

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