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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

M06-2X/TZVP


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0043   0.0000 -0.0000 0.0043
C2 0.3398 1.3507 -0.4393   -1.1293 0.8152 -0.4393
C3 0.9999 -0.9697 -0.4393   1.2707 0.5704 -0.4393
C4 -1.3397 -0.3811 -0.4393   -0.1413 -1.3856 -0.4393
C5 -0.2943 2.4287 0.4274   -2.3653 0.6247 0.4274
C6 2.2504 -0.9595 0.4274   1.7236 1.7361 0.4274
C7 -1.9562 -1.4692 0.4274   0.6417 -2.3608 0.4274
H8 1.4237 1.4614 -0.3892   -0.8314 1.8632 -0.3892
H9 0.0602 1.4927 -1.4975   -1.3646 0.6079 -1.4975
H10 0.5538 -1.9637 -0.3892   2.0293 -0.2116 -0.3892
H11 1.2626 -0.7984 -1.4975   1.2087 0.8779 -1.4975
H12 -1.9775 0.5022 -0.3892   -1.1979 -1.6516 -0.3892
H13 -1.3228 -0.6942 -1.4975   0.1559 -1.4857 -1.4975
H14 -1.3836 2.3817 0.4075   -2.7245 -0.4048 0.4075
H15 0.0292 2.3089 1.4615   -2.1345 0.8809 1.4615
H16 0.0000 3.4202 0.0793   -3.1778 1.2647 0.0793
H17 2.7544 0.0073 0.4075   1.0117 2.5619 0.4075
H18 1.9850 -1.1798 1.4615   1.8302 1.4080 1.4615
H19 2.9620 -1.7101 0.0793   2.6842 2.1197 0.0793
H20 -1.3709 -2.3891 0.4075   1.7128 -2.1571 0.4075
H21 -2.0142 -1.1292 1.4615   0.3043 -2.2890 1.4615
H22 -2.9620 -1.7101 0.0793   0.4936 -3.3844 0.0793
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 1.4618 1.4618 1.4618 2.4828 2.4828 2.4828 2.0779 2.1182 2.0779 2.1182 2.0779 2.1182 2.7838 2.7305 3.4210 2.7838 2.7305 3.4210 2.7838 2.7305 3.4210
C2 1.4618 2.4124 2.4124 1.5216 3.1207 3.7383 1.0907 1.1036 3.3217 2.5671 2.4683 2.8400 2.1795 2.1512 2.1604 2.8900 3.5670 4.0637 4.1988 3.9121 4.5321
C3 1.4618 2.4124 2.4124 3.7383 1.5216 3.1207 2.4683 2.8400 1.0907 1.1036 3.3217 2.5671 4.1988 3.9121 4.5321 2.1795 2.1512 2.1604 2.8900 3.5670 4.0637
C4 1.4618 2.4124 2.4124 3.1207 3.7383 1.5216 3.3217 2.5671 2.4683 2.8400 1.0907 1.1036 2.8900 3.5670 4.0637 4.1988 3.9121 4.5321 2.1795 2.1512 2.1604
C5 2.4828 1.5216 3.7383 3.1207 4.2374 4.2374 2.1340 2.1695 4.5474 4.0673 2.6854 3.8099 1.0905 1.0901 1.0913 3.8933 4.3915 5.2777 4.9366 4.0848 4.9363
C6 2.4828 3.1207 1.5216 3.7383 4.2374 4.2374 2.6854 3.8099 2.1340 2.1695 4.5474 4.0673 4.9366 4.0848 4.9363 1.0905 1.0901 1.0913 3.8933 4.3915 5.2777
C7 2.4828 3.7383 3.1207 1.5216 4.2374 4.2374 4.5474 4.0673 2.6854 3.8099 2.1340 2.1695 3.8933 4.3915 5.2777 4.9366 4.0848 4.9363 1.0905 1.0901 1.0913
H8 2.0779 1.0907 2.4683 3.3217 2.1340 2.6854 4.5474 1.7574 3.5338 2.5221 3.5338 3.6631 3.0598 2.4674 2.4664 2.1260 3.2736 3.5559 4.8240 4.6857 5.4325
H9 2.1182 1.1036 2.8400 2.5671 2.1695 3.8099 4.0673 1.7574 3.6631 2.5875 2.5221 2.5875 2.5502 3.0696 2.4910 3.6186 4.4275 4.6005 4.5546 4.4646 4.6773
H10 2.0779 3.3217 1.0907 2.4683 4.5474 2.1340 2.6854 3.5338 3.6631 1.7574 3.5338 2.5221 4.8240 4.6857 5.4325 3.0598 2.4674 2.4664 2.1260 3.2736 3.5559
H11 2.1182 2.5671 1.1036 2.8400 4.0673 2.1695 3.8099 2.5221 2.5875 1.7574 3.6631 2.5875 4.5546 4.4646 4.6773 2.5502 3.0696 2.4910 3.6186 4.4275 4.6005
H12 2.0779 2.4683 3.3217 1.0907 2.6854 4.5474 2.1340 3.5338 2.5221 3.5338 3.6631 1.7574 2.1260 3.2736 3.5559 4.8240 4.6857 5.4325 3.0598 2.4674 2.4664
H13 2.1182 2.8400 2.5671 1.1036 3.8099 4.0673 2.1695 3.6631 2.5875 2.5221 2.5875 1.7574 3.6186 4.4275 4.6005 4.5546 4.4646 4.6773 2.5502 3.0696 2.4910
H14 2.7838 2.1795 4.1988 2.8900 1.0905 4.9366 3.8933 3.0598 2.5502 4.8240 4.5546 2.1260 3.6186 1.7641 1.7608 4.7708 5.0142 5.9779 4.7708 3.7196 4.3980
H15 2.7305 2.1512 3.9121 3.5670 1.0901 4.0848 4.3915 2.4674 3.0696 4.6857 4.4646 3.2736 4.4275 1.7641 1.7737 3.7196 3.9995 5.1637 5.0142 3.9995 5.1972
H16 3.4210 2.1604 4.5321 4.0637 1.0913 4.9363 5.2777 2.4664 2.4910 5.4325 4.6773 3.5559 4.6005 1.7608 1.7737 4.3980 5.1971 5.9240 5.9779 5.1637 5.9240
H17 2.7838 2.8900 2.1795 4.1988 3.8933 1.0905 4.9366 2.1260 3.6186 3.0598 2.5502 4.8240 4.5546 4.7708 3.7196 4.3980 1.7641 1.7608 4.7708 5.0142 5.9779
H18 2.7305 3.5670 2.1512 3.9121 4.3915 1.0901 4.0848 3.2736 4.4275 2.4674 3.0696 4.6857 4.4646 5.0142 3.9995 5.1971 1.7641 1.7737 3.7196 3.9995 5.1637
H19 3.4210 4.0637 2.1604 4.5321 5.2777 1.0913 4.9363 3.5559 4.6005 2.4664 2.4910 5.4325 4.6773 5.9779 5.1637 5.9240 1.7608 1.7737 4.3980 5.1972 5.9240
H20 2.7838 4.1988 2.8900 2.1795 4.9366 3.8933 1.0905 4.8240 4.5546 2.1260 3.6186 3.0598 2.5502 4.7708 5.0142 5.9779 4.7708 3.7196 4.3980 1.7641 1.7608
H21 2.7305 3.9121 3.5670 2.1512 4.0848 4.3915 1.0901 4.6857 4.4646 3.2736 4.4275 2.4674 3.0696 3.7196 3.9995 5.1637 5.0142 3.9995 5.1972 1.7641 1.7737
H22 3.4210 4.5321 4.0637 2.1604 4.9363 5.2777 1.0913 5.4325 4.6773 3.5559 4.6005 2.4664 2.4910 4.3980 5.1972 5.9240 5.9779 5.1637 5.9240 1.7608 1.7737
Maximum atom distance is 5.9779Å 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 112.637 N1 C3 C6 112.637
N1 C4 C7 112.637 C2 N1 C3 111.215
C2 N1 C4 111.215 C3 N1 C4 111.215
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.112 N1 C2 H9 110.542
N1 C3 H10 108.112 N1 C3 H11 110.542
N1 C4 H12 108.112 N1 C4 H13 110.542
C2 C5 H14 112.048 C2 C5 H15 109.808
C2 C5 H16 110.463 C3 C6 H17 112.048
C3 C6 H18 109.808 C3 C6 H19 110.463
C4 C7 H20 112.048 C4 C7 H21 109.808
C4 C7 H22 110.463 C5 C2 H8 108.426
C5 C2 H9 110.452 C6 C3 H10 108.426
C6 C3 H11 110.452 C7 C4 H12 108.426
C7 C4 H13 110.452 H8 C2 H9 106.426
H10 C3 H11 106.426 H12 C4 H13 106.426
H14 C5 H15 108.001 H14 C5 H16 107.617
H15 C5 H16 108.805 H17 C6 H18 108.001
H17 C6 H19 107.617 H18 C6 H19 108.805
H20 C7 H21 108.001 H20 C7 H22 107.617
H21 C7 H22 108.805

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