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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

CCD/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 0.0056   -0.0000 -0.0000 0.0056
C2 0.3323 1.3519 -0.4458   -0.6820 -1.2136 -0.4458
C3 1.0046 -0.9637 -0.4458   1.3920 0.0162 -0.4458
C4 -1.3369 -0.3882 -0.4458   -0.7100 1.1974 -0.4458
C5 -0.2852 2.4329 0.4337   -1.8718 -1.5801 0.4337
C6 2.2496 -0.9694 0.4337   2.3043 -0.8309 0.4337
C7 -1.9643 -1.4635 0.4337   -0.4325 2.4111 0.4337
H8 1.4170 1.4644 -0.4144   0.0325 -2.0374 -0.4144
H9 0.0315 1.4972 -1.4974   -1.0008 -1.1139 -1.4974
H10 0.5597 -1.9593 -0.4144   1.7482 1.0469 -0.4144
H11 1.2809 -0.7758 -1.4974   1.4651 -0.3098 -1.4974
H12 -1.9767 0.4949 -0.4144   -1.7807 0.9905 -0.4144
H13 -1.3123 -0.7213 -1.4974   -0.4643 1.4237 -1.4974
H14 -1.3751 2.3805 0.4371   -2.6312 -0.7967 0.4371
H15 0.0634 2.3202 1.4613   -1.5403 -1.7363 1.4613
H16 0.0000 3.4238 0.0726   -2.3413 -2.4982 0.0726
H17 2.7491 0.0006 0.4371   2.0055 -1.8803 0.4371
H18 1.9776 -1.2150 1.4613   2.2738 -0.4658 1.4613
H19 2.9651 -1.7119 0.0726   3.3341 -0.7785 0.0726
H20 -1.3741 -2.3811 0.4371   0.6256 2.6770 0.4371
H21 -2.0410 -1.1052 1.4613   -0.7335 2.2021 1.4613
H22 -2.9651 -1.7119 0.0726   -0.9929 3.2767 0.0726
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 1.4635 1.4635 1.4635 2.4867 2.4867 2.4867 2.0805 2.1217 2.0805 2.1217 2.0805 2.1217 2.7828 2.7397 3.4245 2.7828 2.7397 3.4245 2.7828 2.7397 3.4245
C2 1.4635 2.4112 2.4112 1.5243 3.1365 3.7382 1.0909 1.1035 3.3191 2.5560 2.4630 2.8476 2.1801 2.1556 2.1615 2.9063 3.5962 4.0727 4.1983 3.9123 4.5308
C3 1.4635 2.4112 2.4112 3.7382 1.5243 3.1365 2.4630 2.8476 1.0909 1.1035 3.3191 2.5560 4.1983 3.9123 4.5308 2.1801 2.1556 2.1615 2.9063 3.5962 4.0727
C4 1.4635 2.4112 2.4112 3.1365 3.7382 1.5243 3.3191 2.5560 2.4630 2.8476 1.0909 1.1035 2.9063 3.5962 4.0727 4.1983 3.9123 4.5308 2.1801 2.1556 2.1615
C5 2.4867 1.5243 3.7382 3.1365 4.2428 4.2428 2.1342 2.1692 4.5524 4.0593 2.7085 3.8384 1.0911 1.0909 1.0926 3.8889 4.4140 5.2796 4.9356 4.0812 4.9489
C6 2.4867 3.1365 1.5243 3.7382 4.2428 4.2428 2.7085 3.8384 2.1342 2.1692 4.5524 4.0593 4.9356 4.0812 4.9489 1.0911 1.0909 1.0926 3.8889 4.4140 5.2796
C7 2.4867 3.7382 3.1365 1.5243 4.2428 4.2428 4.5524 4.0593 2.7085 3.8384 2.1342 2.1692 3.8889 4.4140 5.2796 4.9356 4.0812 4.9489 1.0911 1.0909 1.0926
H8 2.0805 1.0909 2.4630 3.3191 2.1342 2.7085 4.5524 1.7589 3.5294 2.4920 3.5294 3.6605 3.0594 2.4663 2.4666 2.1546 3.3183 3.5669 4.8273 4.6988 5.4340
H9 2.1217 1.1035 2.8476 2.5560 2.1692 3.8384 4.0593 1.7589 3.6605 2.5938 2.4920 2.5938 2.5497 3.0712 2.4855 3.6562 4.4606 4.6227 4.5562 4.4521 4.6629
H10 2.0805 3.3191 1.0909 2.4630 4.5524 2.1342 2.7085 3.5294 3.6605 1.7589 3.5294 2.4920 4.8273 4.6988 5.4340 3.0594 2.4663 2.4666 2.1546 3.3183 3.5669
H11 2.1217 2.5560 1.1035 2.8476 4.0593 2.1692 3.8384 2.4920 2.5938 1.7589 3.6605 2.5938 4.5562 4.4521 4.6629 2.5497 3.0712 2.4855 3.6562 4.4606 4.6227
H12 2.0805 2.4630 3.3191 1.0909 2.7085 4.5524 2.1342 3.5294 2.4920 3.5294 3.6605 1.7589 2.1546 3.3183 3.5669 4.8273 4.6988 5.4340 3.0594 2.4663 2.4666
H13 2.1217 2.8476 2.5560 1.1035 3.8384 4.0593 2.1692 3.6605 2.5938 2.4920 2.5938 1.7589 3.6562 4.4606 4.6227 4.5562 4.4521 4.6629 2.5497 3.0712 2.4855
H14 2.7828 2.1801 4.1983 2.9063 1.0911 4.9356 3.8889 3.0594 2.5497 4.8273 4.5562 2.1546 3.6562 1.7668 1.7641 4.7616 5.0217 5.9764 4.7616 3.6936 4.4056
H15 2.7397 2.1556 3.9123 3.5962 1.0909 4.0812 4.4140 2.4663 3.0712 4.6988 4.4521 3.3183 4.4606 1.7668 1.7750 3.6936 4.0201 5.1581 5.0217 4.0201 5.2305
H16 3.4245 2.1615 4.5308 4.0727 1.0926 4.9489 5.2796 2.4666 2.4855 5.4340 4.6629 3.5669 4.6227 1.7641 1.7750 4.4056 5.2305 5.9302 5.9764 5.1581 5.9302
H17 2.7828 2.9063 2.1801 4.1983 3.8889 1.0911 4.9356 2.1546 3.6562 3.0594 2.5497 4.8273 4.5562 4.7616 3.6936 4.4056 1.7668 1.7641 4.7616 5.0217 5.9764
H18 2.7397 3.5962 2.1556 3.9123 4.4140 1.0909 4.0812 3.3183 4.4606 2.4663 3.0712 4.6988 4.4521 5.0217 4.0201 5.2305 1.7668 1.7750 3.6936 4.0201 5.1581
H19 3.4245 4.0727 2.1615 4.5308 5.2796 1.0926 4.9489 3.5669 4.6227 2.4666 2.4855 5.4340 4.6629 5.9764 5.1581 5.9302 1.7641 1.7750 4.4056 5.2305 5.9302
H20 2.7828 4.1983 2.9063 2.1801 4.9356 3.8889 1.0911 4.8273 4.5562 2.1546 3.6562 3.0594 2.5497 4.7616 5.0217 5.9764 4.7616 3.6936 4.4056 1.7668 1.7641
H21 2.7397 3.9123 3.5962 2.1556 4.0812 4.4140 1.0909 4.6988 4.4521 3.3183 4.4606 2.4663 3.0712 3.6936 4.0201 5.1581 5.0217 4.0201 5.2305 1.7668 1.7750
H22 3.4245 4.5308 4.0727 2.1615 4.9489 5.2796 1.0926 5.4340 4.6629 3.5669 4.6227 2.4666 2.4855 4.4056 5.2305 5.9302 5.9764 5.1581 5.9302 1.7641 1.7750
Maximum atom distance is 5.9764Å between atoms H14 and H19.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 112.654 N1 C3 C6 112.654
N1 C4 C7 112.654 C2 N1 C3 110.934
C2 N1 C4 110.934 C3 N1 C4 110.934
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.189 N1 C2 H9 110.716
N1 C3 H10 108.189 N1 C3 H11 110.716
N1 C4 H12 108.189 N1 C4 H13 110.716
C2 C5 H14 111.862 C2 C5 H15 109.921
C2 C5 H16 110.288 C3 C6 H17 111.862
C3 C6 H18 109.921 C3 C6 H19 110.288
C4 C7 H20 111.863 C4 C7 H21 109.921
C4 C7 H22 110.288 C5 C2 H8 108.243
C5 C2 H9 110.248 C6 C3 H10 108.243
C6 C3 H11 110.248 C7 C4 H12 108.243
C7 C4 H13 110.248 H8 C2 H9 106.550
H10 C3 H11 106.550 H12 C4 H13 106.550
H14 C5 H15 108.140 H14 C5 H16 107.778
H15 C5 H16 108.762 H17 C6 H18 108.140
H17 C6 H19 107.778 H18 C6 H19 108.762
H20 C7 H21 108.140 H20 C7 H22 107.778
H21 C7 H22 108.762

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