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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

B3PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0170 -0.2786 0.0000   0.0134 -0.2783 0.0170
C2 0.0170 0.5161 1.2162   1.1898 0.5742 0.0170
C3 0.0170 0.5161 -1.2162   -1.2396 0.4568 0.0170
C4 0.0170 -0.3721 2.4517   2.4668 -0.2533 0.0170
C5 0.0170 -0.3721 -2.4517   -2.4309 -0.4899 0.0170
H6 -0.7951 -0.8887 0.0000   0.0429 -0.8876 -0.7951
H7 -0.8327 1.2253 1.2664   1.2058 1.2849 -0.8327
H8 0.9251 1.1341 1.2090   1.1529 1.1911 0.9251
H9 -0.8327 1.2253 -1.2664   -1.3241 1.1627 -0.8327
H10 0.9251 1.1341 -1.2090   -1.2623 1.0744 0.9251
H11 0.0607 0.2282 3.3655   3.3505 0.3904 0.0607
H12 -0.8931 -0.9816 2.5003   2.5448 -0.8598 -0.8931
H13 0.8748 -1.0505 2.4363   2.4842 -0.9317 0.8748
H14 0.0607 0.2282 -3.3655   -3.3726 0.0655 0.0607
H15 -0.8931 -0.9816 -2.5003   -2.4500 -1.1011 -0.8931
H16 0.8748 -1.0505 -2.4363   -2.3828 -1.1669 0.8748
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
N1 1.4528 1.4528 2.4535 2.4535 1.0157 2.1418 2.0694 2.1418 2.0694 3.4037 2.7521 2.6958 3.4037 2.7521 2.6958
C2 1.4528 2.4323 1.5216 3.7739 2.0278 1.1079 1.0985 2.7181 2.6623 2.1690 2.1726 2.1630 4.5909 4.1090 4.0658
C3 1.4528 2.4323 3.7739 1.5216 2.0278 2.7181 2.6623 1.1079 1.0985 4.5909 4.1090 4.0658 2.1690 2.1726 2.1630
C4 2.4535 1.5216 3.7739 4.9035 2.6339 2.1629 2.1535 4.1350 4.0613 1.0942 1.0964 1.0938 5.8483 5.0717 5.0089
C5 2.4535 3.7739 1.5216 4.9035 2.6339 4.1350 4.0613 2.1629 2.1535 5.8483 5.0717 5.0089 1.0942 1.0964 1.0938
H6 1.0157 2.0278 2.0278 2.6339 2.6339 2.4645 2.9176 2.4645 2.9176 3.6478 2.5040 2.9581 3.6478 2.5040 2.9581
H7 2.1418 1.1079 2.7181 2.1629 4.1350 2.4645 1.7611 2.5329 3.0374 2.4896 2.5291 3.0762 4.8215 4.3660 4.6696
H8 2.0694 1.0985 2.6623 2.1535 4.0613 2.9176 1.7611 3.0374 2.4180 2.4937 3.0740 2.5063 4.7428 4.6412 4.2501
H9 2.1418 2.7181 1.1079 4.1350 2.1629 2.4645 2.5329 3.0374 1.7611 4.8215 4.3660 4.6696 2.4896 2.5291 3.0762
H10 2.0694 2.6623 1.0985 4.0613 2.1535 2.9176 3.0374 2.4180 1.7611 4.7428 4.6412 4.2501 2.4937 3.0740 2.5063
H11 3.4037 2.1690 4.5909 1.0942 5.8483 3.6478 2.4896 2.4937 4.8215 4.7428 1.7669 1.7780 6.7310 6.0647 5.9965
H12 2.7521 2.1726 4.1090 1.0964 5.0717 2.5040 2.5291 3.0740 4.3660 4.6412 1.7669 1.7704 6.0647 5.0007 5.2441
H13 2.6958 2.1630 4.0658 1.0938 5.0089 2.9581 3.0762 2.5063 4.6696 4.2501 1.7780 1.7704 5.9965 5.2441 4.8726
H14 3.4037 4.5909 2.1690 5.8483 1.0942 3.6478 4.8215 4.7428 2.4896 2.4937 6.7310 6.0647 5.9965 1.7669 1.7780
H15 2.7521 4.1090 2.1726 5.0717 1.0964 2.5040 4.3660 4.6412 2.5291 3.0740 6.0647 5.0007 5.2441 1.7669 1.7704
H16 2.6958 4.0658 2.1630 5.0089 1.0938 2.9581 4.6696 4.2501 3.0762 2.5063 5.9965 5.2441 4.8726 1.7780 1.7704
Maximum atom distance is 6.7310Å 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 111.128 N1 C3 C5 111.128
C2 N1 C3 113.673
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 112.840 N1 C2 H8 107.596
N1 C3 H9 112.840 N1 C3 H10 107.596
C2 N1 H6 109.181 C2 C4 H11 110.972
C2 C4 H12 111.129 C2 C4 H13 110.523
C3 N1 H6 109.181 C3 C5 H14 110.972
C3 C5 H15 111.129 C3 C5 H16 110.523
C4 C2 H7 109.680 C4 C2 H8 109.491
C5 C3 H8 151.062 C5 C3 H10 109.491
H7 C2 H8 105.914 H9 C3 H10 105.914
H11 C4 H12 107.525 H11 C4 H13 108.708
H12 C4 H13 107.864 H14 C5 H15 107.525
H14 C5 H16 108.708 H15 C5 H16 107.864

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