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Geometry for (trimethyl arsine) 1A1 C3V

1910171554
InChI=1S/C3H9As/c1-4(2)3/h1-3H3 INChIKey=HTDIUWINAKAPER-UHFFFAOYSA-N

CCD/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.4718   0.0000 0.0000 0.4718
C2 0.0000 1.6959 -0.5186   1.6959 -0.0000 -0.5186
C3 1.4687 -0.8480 -0.5186   -0.8480 1.4687 -0.5186
C4 -1.4687 -0.8480 -0.5186   -0.8480 -1.4687 -0.5186
H5 0.0000 1.5201 -1.5936   1.5201 -0.0000 -1.5936
H6 1.3164 -0.7600 -1.5936   -0.7600 1.3164 -1.5936
H7 -1.3164 -0.7600 -1.5936   -0.7600 -1.3164 -1.5936
H8 -0.8818 2.2712 -0.2420   2.2712 -0.8818 -0.2420
H9 2.4078 -0.3719 -0.2420   -0.3719 2.4078 -0.2420
H10 -1.5260 -1.8992 -0.2420   -1.8992 -1.5260 -0.2420
H11 0.8818 2.2712 -0.2420   2.2712 0.8818 -0.2420
H12 1.5260 -1.8992 -0.2420   -1.8992 1.5260 -0.2420
H13 -2.4078 -0.3719 -0.2420   -0.3719 -2.4078 -0.2420
Atom - Atom Distances (Å)
  As1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
As1 1.9640 1.9640 1.9640 2.5645 2.5645 2.5645 2.5387 2.5387 2.5387 2.5387 2.5387 2.5387
C2 1.9640 2.9375 2.9375 1.0893 2.9867 2.9867 1.0886 3.1859 3.9154 1.0886 3.9154 3.1859
C3 1.9640 2.9375 2.9375 2.9867 1.0893 2.9867 3.9154 1.0886 3.1859 3.1859 1.0886 3.9154
C4 1.9640 2.9375 2.9375 2.9867 2.9867 1.0893 3.1859 3.9154 1.0886 3.9154 3.1859 1.0886
H5 2.5645 1.0893 2.9867 2.9867 2.6329 2.6329 1.7801 3.3472 3.9809 1.7801 3.9809 3.3472
H6 2.5645 2.9867 1.0893 2.9867 2.6329 2.6329 3.9809 1.7801 3.3472 3.3472 1.7801 3.9809
H7 2.5645 2.9867 2.9867 1.0893 2.6329 2.6329 3.3472 3.9809 1.7801 3.9809 3.3472 1.7801
H8 2.5387 1.0886 3.9154 3.1859 1.7801 3.9809 3.3472 4.2199 4.2199 1.7636 4.8156 3.0520
H9 2.5387 3.1859 1.0886 3.9154 3.3472 1.7801 3.9809 4.2199 4.2199 3.0520 1.7636 4.8156
H10 2.5387 3.9154 3.1859 1.0886 3.9809 3.3472 1.7801 4.2199 4.2199 4.8156 3.0520 1.7636
H11 2.5387 1.0886 3.1859 3.9154 1.7801 3.3472 3.9809 1.7636 3.0520 4.8156 4.2199 4.2199
H12 2.5387 3.9154 1.0886 3.1859 3.9809 1.7801 3.3472 4.8156 1.7636 3.0520 4.2199 4.2199
H13 2.5387 3.1859 3.9154 1.0886 3.3472 3.9809 1.7801 3.0520 4.8156 1.7636 4.2199 4.2199
Maximum atom distance is 4.8156Å between atoms H9 and H13.
picture of trimethyl arsine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 As1 C3 96.807 C2 As1 C4 96.807
C3 As1 C4 96.807
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
As1 C2 H5 110.993 As1 C2 H8 109.155
As1 C2 H11 109.155 As1 C3 H6 110.993
As1 C3 H9 109.155 As1 C3 H12 109.155
As1 C4 H7 110.993 As1 C4 H10 109.155
As1 C4 H13 109.155 H5 C2 H8 109.642
H5 C2 H11 109.642 H6 C3 H9 109.642
H6 C3 H12 109.642 H7 C4 H10 109.642
H7 C4 H13 109.642 H8 C2 H11 108.201
H9 C3 H12 108.201 H10 C4 H13 108.201

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