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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

B2PLYP=FULL/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0171 -0.2780 0.0000   0.0000 -0.2769 0.0304
C2 0.0171 0.5179 1.2179   1.2179 0.5181 -0.0079
C3 0.0171 0.5179 -1.2179   -1.2179 0.5181 -0.0079
C4 0.0171 -0.3723 2.4476   2.4476 -0.3711 0.0349
C5 0.0171 -0.3723 -2.4476   -2.4476 -0.3711 0.0349
H6 -0.7895 -0.8911 0.0000   0.0000 -0.9280 -0.7457
H7 -0.8317 1.2160 1.2641   1.2641 1.1745 -0.8892
H8 0.9193 1.1308 1.2096   1.2096 1.1737 0.8638
H9 -0.8317 1.2160 -1.2641   -1.2641 1.1745 -0.8892
H10 0.9193 1.1308 -1.2096   -1.2096 1.1737 0.8638
H11 0.0545 0.2217 3.3585   3.3585 0.2241 0.0437
H12 -0.8857 -0.9818 2.4867   2.4867 -1.0233 -0.8374
H13 0.8740 -1.0414 2.4302   2.4302 -0.9981 0.9231
H14 0.0545 0.2217 -3.3585   -3.3585 0.2241 0.0437
H15 -0.8857 -0.9818 -2.4867   -2.4867 -1.0233 -0.8374
H16 0.8740 -1.0414 -2.4302   -2.4302 -0.9981 0.9231
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
N1 1.4549 1.4549 2.4494 2.4494 1.0130 2.1332 2.0645 2.1332 2.0645 3.3957 2.7375 2.6875 3.3957 2.7375 2.6875
C2 1.4549 2.4359 1.5181 3.7721 2.0295 1.0999 1.0907 2.7144 2.6613 2.1613 2.1619 2.1529 4.5861 4.0974 4.0589
C3 1.4549 2.4359 3.7721 1.5181 2.0295 2.7144 2.6613 1.0999 1.0907 4.5861 4.0974 4.0589 2.1613 2.1619 2.1529
C4 2.4494 1.5181 3.7721 4.8952 2.6288 2.1549 2.1461 4.1255 4.0557 1.0881 1.0900 1.0873 5.8365 5.0531 4.9975
C5 2.4494 3.7721 1.5181 4.8952 2.6288 4.1255 4.0557 2.1549 2.1461 5.8365 5.0531 4.9975 1.0881 1.0900 1.0873
H6 1.0130 2.0295 2.0295 2.6288 2.6288 2.4575 2.9105 2.4575 2.9105 3.6373 2.4902 2.9488 3.6373 2.4902 2.9488
H7 2.1332 1.0999 2.7144 2.1549 4.1255 2.4575 1.7539 2.5282 3.0319 2.4820 2.5156 3.0602 4.8106 4.3476 4.6532
H8 2.0645 1.0907 2.6613 2.1461 4.0557 2.9105 1.7539 3.0319 2.4193 2.4883 3.0581 2.4920 4.7373 4.6243 4.2389
H9 2.1332 2.7144 1.0999 4.1255 2.1549 2.4575 2.5282 3.0319 1.7539 4.8106 4.3476 4.6532 2.4820 2.5156 3.0602
H10 2.0645 2.6613 1.0907 4.0557 2.1461 2.9105 3.0319 2.4193 1.7539 4.7373 4.6243 4.2389 2.4883 3.0581 2.4920
H11 3.3957 2.1613 4.5861 1.0881 5.8365 3.6373 2.4820 2.4883 4.8106 4.7373 1.7585 1.7689 6.7170 6.0414 5.9813
H12 2.7375 2.1619 4.0974 1.0900 5.0531 2.4902 2.5156 3.0581 4.3476 4.6243 1.7585 1.7616 6.0414 4.9734 5.2226
H13 2.6875 2.1529 4.0589 1.0873 4.9975 2.9488 3.0602 2.4920 4.6532 4.2389 1.7689 1.7616 5.9813 5.2226 4.8604
H14 3.3957 4.5861 2.1613 5.8365 1.0881 3.6373 4.8106 4.7373 2.4820 2.4883 6.7170 6.0414 5.9813 1.7585 1.7689
H15 2.7375 4.0974 2.1619 5.0531 1.0900 2.4902 4.3476 4.6243 2.5156 3.0581 6.0414 4.9734 5.2226 1.7585 1.7616
H16 2.6875 4.0589 2.1529 4.9975 1.0873 2.9488 4.6532 4.2389 3.0602 2.4920 5.9813 5.2226 4.8604 1.7689 1.7616
Maximum atom distance is 6.7170Å 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 110.933 N1 C3 C5 110.933
C2 N1 C3 113.670
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 112.477 N1 C2 H8 107.519
N1 C3 H9 112.477 N1 C3 H10 107.519
C2 N1 H6 109.332 C2 C4 H11 110.974
C2 C4 H12 110.915 C2 C4 H13 110.356
C3 N1 H6 109.332 C3 C5 H14 110.974
C3 C5 H15 110.915 C3 C5 H16 110.356
C4 C2 H7 109.765 C4 C2 H8 109.612
C5 C3 H8 150.917 C5 C3 H10 109.612
H7 C2 H8 106.380 H9 C3 H10 106.380
H11 C4 H12 107.682 H11 C4 H13 108.801
H12 C4 H13 108.012 H14 C5 H15 107.682
H14 C5 H16 108.801 H15 C5 H16 108.012

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