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Geometry for Al(CH3)3 (trimethyl aluminum) 1A' C3H

1910171554
InChI=1S/3CH3.Al/h3*1H3; INChIKey=JLTRXTDYQLMHGR-UHFFFAOYSA-N

B1B95/6-31G


Point group is C3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Al1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 1.9793 0.0000   0.1777 -1.9713 0.0000
C3 -1.7141 -0.9897 0.0000   1.6183 1.1396 0.0000
C4 1.7141 -0.9897 0.0000   -1.7961 0.8317 0.0000
H5 -1.0117 2.3964 0.0000   1.2228 -2.2959 0.0000
H6 -1.5695 -2.0744 0.0000   1.3769 2.2069 0.0000
H7 2.5812 -0.3220 0.0000   -2.5997 0.0890 0.0000
H8 0.5272 2.3707 0.8795   -0.3122 -2.4084 0.8795
H9 0.5272 2.3707 -0.8795   -0.3122 -2.4084 -0.8795
H10 -2.3166 -0.7288 0.8795   2.2418 0.9339 0.8795
H11 -2.3166 -0.7288 -0.8795   2.2418 0.9339 -0.8795
H12 1.7895 -1.6419 0.8795   -1.9297 1.4746 0.8795
H13 1.7895 -1.6419 -0.8795   -1.9297 1.4746 -0.8795
Atom - Atom Distances (Å)
  Al1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
Al1 1.9793 1.9793 1.9793 2.6012 2.6012 2.6012 2.5829 2.5829 2.5829 2.5829 2.5829 2.5829
C2 1.9793 3.4283 3.4283 1.0943 4.3469 3.4582 1.0976 1.0976 3.6707 3.6707 4.1338 4.1338
C3 1.9793 3.4283 3.4283 3.4582 1.0943 4.3469 4.1338 4.1338 1.0976 1.0976 3.6707 3.6707
C4 1.9793 3.4283 3.4283 4.3469 3.4582 1.0943 3.6707 3.6707 4.1338 4.1338 1.0976 1.0976
H5 2.6012 1.0943 3.4582 4.3469 4.5055 4.5055 1.7727 1.7727 3.4990 3.4990 4.9928 4.9928
H6 2.6012 4.3469 1.0943 3.4582 4.5055 4.5055 4.9928 4.9928 1.7727 1.7727 3.4990 3.4990
H7 2.6012 3.4582 4.3469 1.0943 4.5055 4.5055 3.4990 3.4990 4.9928 4.9928 1.7727 1.7727
H8 2.5829 1.0976 4.1338 3.6707 1.7727 4.9928 3.4990 1.7590 4.2064 4.5594 4.2064 4.5594
H9 2.5829 1.0976 4.1338 3.6707 1.7727 4.9928 3.4990 1.7590 4.5594 4.2064 4.5594 4.2064
H10 2.5829 3.6707 1.0976 4.1338 3.4990 1.7727 4.9928 4.2064 4.5594 1.7590 4.2064 4.5594
H11 2.5829 3.6707 1.0976 4.1338 3.4990 1.7727 4.9928 4.5594 4.2064 1.7590 4.5594 4.2064
H12 2.5829 4.1338 3.6707 1.0976 4.9928 3.4990 1.7727 4.2064 4.5594 4.2064 4.5594 1.7590
H13 2.5829 4.1338 3.6707 1.0976 4.9928 3.4990 1.7727 4.5594 4.2064 4.5594 4.2064 1.7590
Maximum atom distance is 4.9928Å between atoms H7 and H10.
picture of trimethyl aluminum
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Al1 C3 120.000 C2 Al1 C4 120.000
C3 Al1 C4 120.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Al1 C2 H5 112.405 Al1 C2 H8 110.890
Al1 C2 H9 110.890 Al1 C3 H6 112.405
Al1 C3 H10 110.890 Al1 C3 H11 110.890
Al1 C4 H7 112.405 Al1 C4 H12 110.890
Al1 C4 H13 110.890 H5 C2 H8 107.948
H5 C2 H9 107.948 H6 C3 H10 107.948
H6 C3 H11 107.948 H7 C4 H12 107.948
H7 C4 H13 107.948 H8 C2 H9 106.516
H10 C3 H11 106.516 H12 C4 H13 106.516

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