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Geometry for NH(C2H5)2 (diethylamine) 1A' CS

1910171554
InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 INChIKey=HPNMFZURTQLUMO-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0339 -0.2731 0.0000   0.0000 -0.2715 0.0445
C2 0.0139 0.5157 1.2122   1.2122 0.5158 -0.0062
C3 0.0139 0.5157 -1.2122   -1.2122 0.5158 -0.0062
C4 0.0139 -0.3718 2.4425   2.4425 -0.3710 0.0283
C5 0.0139 -0.3718 -2.4425   -2.4425 -0.3710 0.0283
H6 -0.7427 -0.8997 0.0000   0.0000 -0.9279 -0.7071
H7 -0.8453 1.1889 1.2474   1.2474 1.1551 -0.8909
H8 0.8979 1.1433 1.2168   1.2168 1.1774 0.8528
H9 -0.8453 1.1889 -1.2474   -1.2474 1.1551 -0.8909
H10 0.8979 1.1433 -1.2168   -1.2168 1.1774 0.8528
H11 0.0188 0.2266 3.3454   3.3454 0.2271 0.0100
H12 -0.8693 -1.0015 2.4693   2.4693 -1.0345 -0.8297
H13 0.8841 -1.0148 2.4488   2.4488 -0.9797 0.9229
H14 0.0188 0.2266 -3.3454   -3.3454 0.2271 0.0100
H15 -0.8693 -1.0015 -2.4693   -2.4693 -1.0345 -0.8297
H16 0.8841 -1.0148 -2.4488   -2.4488 -0.9797 0.9229
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
N1 1.4464 1.4464 2.4446 2.4446 0.9979 2.1134 2.0575 2.1134 2.0575 3.3825 2.7284 2.6962 3.3825 2.7284 2.6962
C2 1.4464 2.4245 1.5170 3.7609 2.0113 1.0921 1.0842 2.6910 2.6600 2.1526 2.1592 2.1515 4.5668 4.0787 4.0624
C3 1.4464 2.4245 3.7609 1.5170 2.0113 2.6910 2.6600 1.0921 1.0842 4.5668 4.0787 4.0624 2.1526 2.1592 2.1515
C4 2.4446 1.5170 3.7609 4.8850 2.6109 2.1452 2.1400 4.0975 4.0580 1.0832 1.0850 1.0820 5.8187 5.0302 5.0095
C5 2.4446 3.7609 1.5170 4.8850 2.6109 4.0975 4.0580 2.1452 2.1400 5.8187 5.0302 5.0095 1.0832 1.0850 1.0820
H6 0.9979 2.0113 2.0113 2.6109 2.6109 2.4349 2.8890 2.4349 2.8890 3.6111 2.4747 2.9421 3.6111 2.4747 2.9421
H7 2.1134 1.0921 2.6910 2.1452 4.0975 2.4349 1.7441 2.4949 3.0188 2.4645 2.5083 3.0480 4.7714 4.3142 4.6378
H8 2.0575 1.0842 2.6600 2.1400 4.0580 2.8890 1.7441 3.0188 2.4336 2.4787 3.0483 2.4851 4.7357 4.6164 4.2537
H9 2.1134 2.6910 1.0921 4.0975 2.1452 2.4349 2.4949 3.0188 1.7441 4.7714 4.3142 4.6378 2.4645 2.5083 3.0480
H10 2.0575 2.6600 1.0842 4.0580 2.1400 2.8890 3.0188 2.4336 1.7441 4.7357 4.6164 4.2537 2.4787 3.0483 2.4851
H11 3.3825 2.1526 4.5668 1.0832 5.8187 3.6111 2.4645 2.4787 4.7714 4.7357 1.7505 1.7589 6.6907 6.0090 5.9885
H12 2.7284 2.1592 4.0787 1.0850 5.0302 2.4747 2.5083 3.0483 4.3142 4.6164 1.7505 1.7535 6.0090 4.9387 5.2214
H13 2.6962 2.1515 4.0624 1.0820 5.0095 2.9421 3.0480 2.4851 4.6378 4.2537 1.7589 1.7535 5.9885 5.2214 4.8976
H14 3.3825 4.5668 2.1526 5.8187 1.0832 3.6111 4.7714 4.7357 2.4645 2.4787 6.6907 6.0090 5.9885 1.7505 1.7589
H15 2.7284 4.0787 2.1592 5.0302 1.0850 2.4747 4.3142 4.6164 2.5083 3.0483 6.0090 4.9387 5.2214 1.7505 1.7535
H16 2.6962 4.0624 2.1515 5.0095 1.0820 2.9421 4.6378 4.2537 3.0480 2.4851 5.9885 5.2214 4.8976 1.7589 1.7535
Maximum atom distance is 6.6907Å between atoms H11 and H14.
picture of diethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C4 111.141 N1 C3 C5 111.141
C2 N1 C3 113.882
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 111.965 N1 C2 H8 107.934
N1 C3 H9 111.965 N1 C3 H10 107.934
C2 N1 H6 109.372 C2 C4 H11 110.659
C2 C4 H12 111.078 C2 C4 H13 110.633
C3 N1 H6 109.372 C3 C5 H14 110.659
C3 C5 H15 111.078 C3 C5 H16 110.633
C4 C2 H7 109.543 C4 C2 H8 109.591
C5 C3 H8 151.476 C5 C3 H10 109.591
H7 C2 H8 106.530 H9 C3 H10 106.530
H11 C4 H12 107.678 H11 C4 H13 108.649
H12 C4 H13 108.037 H14 C5 H15 107.678
H14 C5 H16 108.649 H15 C5 H16 108.037

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