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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

PBEPBE/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 0.0415   0.0000 -0.0000 0.0415
C2 -0.3419 1.3849 0.4481   1.0754 0.9372 0.4481
C3 -1.0284 -0.9886 0.4481   0.2740 -1.4000 0.4481
C4 1.3703 -0.3964 0.4481   -1.3494 0.4627 0.4481
C5 0.3158 2.4470 -0.4436   1.1471 2.1843 -0.4436
C6 -2.2770 -0.9500 -0.4436   1.3181 -2.0856 -0.4436
C7 1.9612 -1.4969 -0.4436   -2.4653 -0.0987 -0.4436
H8 -1.4378 1.4914 0.3717   2.0336 0.3949 0.3717
H9 -0.0843 1.5693 1.5216   0.9704 1.2362 1.5216
H10 -0.5727 -1.9908 0.3717   -0.6748 -1.9585 0.3717
H11 -1.3169 -0.8576 1.5216   0.5853 -1.4585 1.5216
H12 2.0104 0.4995 0.3717   -1.3587 1.5637 0.3717
H13 1.4012 -0.7117 1.5216   -1.5558 0.2223 1.5216
H14 1.4178 2.4121 -0.3866   0.2251 2.7889 -0.3866
H15 0.0259 2.2876 -1.4952   1.2928 1.8874 -1.4952
H16 0.0000 3.4593 -0.1352   1.9871 2.8316 -0.1352
H17 -2.7979 0.0218 -0.3866   2.3027 -1.5894 -0.3866
H18 -1.9941 -1.1213 -1.4952   0.9881 -2.0633 -1.4952
H19 -2.9958 -1.7297 -0.1352   1.4587 -3.1367 -0.1352
H20 1.3801 -2.4339 -0.3866   -2.5278 -1.1995 -0.3866
H21 1.9681 -1.1662 -1.4952   -2.2809 0.1759 -1.4952
H22 2.9958 -1.7297 -0.1352   -3.4458 0.3051 -0.1352
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 1.4833 1.4833 1.4833 2.5145 2.5145 2.5145 2.0977 2.1589 2.0977 2.1589 2.0977 2.1589 2.8305 2.7559 3.4638 2.8305 2.7559 3.4638 2.8305 2.7559 3.4638
C2 1.4833 2.4708 2.4708 1.5347 3.1609 3.7953 1.1037 1.1194 3.3845 2.6706 2.5146 2.9303 2.2019 2.1741 2.1818 2.9303 3.5760 4.1333 4.2715 3.9524 4.6023
C3 1.4833 2.4708 2.4708 3.7953 1.5347 3.1609 2.5146 2.9303 1.1037 1.1194 3.3845 2.6706 4.2715 3.9524 4.6023 2.2019 2.1741 2.1818 2.9303 3.5760 4.1333
C4 1.4833 2.4708 2.4708 3.1610 3.7953 1.5347 3.3845 2.6706 2.5146 2.9303 1.1037 1.1194 2.9303 3.5760 4.1333 4.2715 3.9524 4.6023 2.2019 2.1741 2.1818
C5 2.5145 1.5347 3.7953 3.1610 4.2734 4.2734 2.1570 2.1891 4.5987 4.1771 2.7073 3.8752 1.1041 1.1025 1.1044 3.9471 4.3788 5.3391 4.9959 4.1099 4.9721
C6 2.5145 3.1609 1.5347 3.7953 4.2734 4.2734 2.7073 3.8752 2.1570 2.1891 4.5987 4.1771 4.9959 4.1099 4.9721 1.1041 1.1025 1.1044 3.9471 4.3788 5.3391
C7 2.5145 3.7953 3.1609 1.5347 4.2734 4.2734 4.5987 4.1771 2.7073 3.8752 2.1570 2.1891 3.9471 4.3788 5.3391 4.9959 4.1099 4.9721 1.1041 1.1025 1.1044
H8 2.0977 1.1037 2.5146 3.3845 2.1570 2.7073 4.5987 1.7777 3.5880 2.6181 3.5880 3.7730 3.0947 2.5024 2.4894 2.1412 3.2590 3.6138 4.8911 4.7062 5.5035
H9 2.1589 1.1194 2.9303 2.6706 2.1891 3.8752 4.1771 1.7777 3.7730 2.7221 2.6181 2.7221 2.5706 3.1032 2.5148 3.6606 4.4709 4.7017 4.6703 4.5604 4.8079
H10 2.0977 3.3845 1.1037 2.5146 4.5987 2.1570 2.7073 3.5880 3.7730 1.7777 3.5880 2.6181 4.8911 4.7062 5.5035 3.0947 2.5024 2.4894 2.1412 3.2590 3.6138
H11 2.1589 2.6706 1.1194 2.9303 4.1771 2.1891 3.8752 2.6181 2.7221 1.7777 3.7730 2.7221 4.6703 4.5604 4.8079 2.5706 3.1032 2.5148 3.6606 4.4709 4.7017
H12 2.0977 2.5146 3.3845 1.1037 2.7073 4.5987 2.1570 3.5880 2.6181 3.5880 3.7730 1.7777 2.1412 3.2590 3.6138 4.8911 4.7062 5.5035 3.0947 2.5024 2.4894
H13 2.1589 2.9303 2.6706 1.1194 3.8752 4.1771 2.1891 3.7730 2.7221 2.6181 2.7221 1.7777 3.6606 4.4709 4.7017 4.6703 4.5604 4.8079 2.5706 3.1032 2.5148
H14 2.8305 2.2019 4.2715 2.9303 1.1041 4.9959 3.9471 3.0947 2.5706 4.8911 4.6703 2.1412 3.6606 1.7838 1.7804 4.8462 5.0354 6.0579 4.8462 3.7864 4.4393
H15 2.7559 2.1741 3.9524 3.5760 1.1025 4.1099 4.3788 2.5024 3.1032 4.7062 4.5604 3.2590 4.4709 1.7838 1.7954 3.7864 3.9625 5.2076 5.0354 3.9625 5.1777
H16 3.4638 2.1818 4.6023 4.1333 1.1044 4.9721 5.3391 2.4894 2.5148 5.5035 4.8079 3.6138 4.7017 1.7804 1.7954 4.4393 5.1777 5.9917 6.0579 5.2076 5.9917
H17 2.8305 2.9303 2.2019 4.2715 3.9471 1.1041 4.9959 2.1412 3.6606 3.0947 2.5706 4.8911 4.6703 4.8462 3.7864 4.4393 1.7838 1.7804 4.8462 5.0354 6.0579
H18 2.7559 3.5760 2.1741 3.9524 4.3788 1.1025 4.1099 3.2590 4.4709 2.5024 3.1032 4.7062 4.5604 5.0354 3.9625 5.1777 1.7838 1.7954 3.7864 3.9625 5.2076
H19 3.4638 4.1333 2.1818 4.6023 5.3391 1.1044 4.9721 3.6138 4.7017 2.4894 2.5148 5.5035 4.8079 6.0579 5.2076 5.9917 1.7804 1.7954 4.4393 5.1777 5.9917
H20 2.8305 4.2715 2.9303 2.2019 4.9959 3.9471 1.1041 4.8911 4.6703 2.1412 3.6606 3.0947 2.5706 4.8462 5.0354 6.0579 4.8462 3.7864 4.4393 1.7838 1.7804
H21 2.7559 3.9524 3.5760 2.1741 4.1099 4.3788 1.1025 4.7062 4.5604 3.2590 4.4709 2.5024 3.1032 3.7864 3.9625 5.2076 5.0354 3.9625 5.1777 1.7838 1.7954
H22 3.4638 4.6023 4.1333 2.1818 4.9721 5.3391 1.1044 5.5035 4.8079 3.6138 4.7017 2.4894 2.5148 4.4393 5.1777 5.9917 6.0579 5.2076 5.9917 1.7804 1.7954
Maximum atom distance is 6.0579Å 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 112.835 N1 C3 C6 112.835
N1 C4 C7 112.835 C2 N1 C3 112.787
C2 N1 C4 112.787 C3 N1 C4 112.787
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 107.455 N1 C2 H9 111.324
N1 C3 H10 107.455 N1 C3 H11 111.324
N1 C4 H12 107.454 N1 C4 H13 111.324
C2 C5 H14 112.081 C2 C5 H15 109.969
C2 C5 H16 110.463 C3 C6 H17 112.081
C3 C6 H18 109.969 C3 C6 H19 110.463
C4 C7 H20 112.081 C4 C7 H21 109.969
C4 C7 H22 110.463 C5 C2 H8 108.577
C5 C2 H9 110.156 C6 C3 H10 108.577
C6 C3 H11 110.156 C7 C4 H12 108.577
C7 C4 H13 110.156 H8 C2 H9 106.200
H10 C3 H11 106.200 H12 C4 H13 106.200
H14 C5 H15 107.885 H14 C5 H16 107.451
H15 C5 H16 108.887 H17 C6 H18 107.885
H17 C6 H19 107.451 H18 C6 H19 108.887
H20 C7 H21 107.885 H20 C7 H22 107.451
H21 C7 H22 108.887

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