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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

1910171554
InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3 INChIKey=JLUFWMXJHAVVNN-UHFFFAOYSA-N

HF/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2579   0.0000 0.0000 0.2579
C2 0.0000 0.0000 2.1074   0.0000 0.0000 2.1074
Cl3 0.0000 1.9121 -0.4651   0.0000 1.9121 -0.4651
Cl4 1.6560 -0.9561 -0.4651   1.6560 -0.9561 -0.4651
Cl5 -1.6560 -0.9561 -0.4651   -1.6560 -0.9561 -0.4651
H6 0.0000 -1.0152 2.4881   0.0000 -1.0152 2.4881
H7 0.8792 0.5076 2.4881   0.8792 0.5076 2.4881
H8 -0.8792 0.5076 2.4881   -0.8792 0.5076 2.4881
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8495 2.0443 2.0443 2.0443 2.4504 2.4504 2.4504
C2 1.8495 3.2053 3.2053 3.2053 1.0843 1.0843 1.0843
Cl3 2.0443 3.2053 3.3119 3.3119 4.1582 3.3863 3.3863
Cl4 2.0443 3.2053 3.3119 3.3119 3.3863 3.3863 4.1582
Cl5 2.0443 3.2053 3.3119 3.3119 3.3863 4.1582 3.3863
H6 2.4504 1.0843 4.1582 3.3863 3.3863 1.7585 1.7585
H7 2.4504 1.0843 3.3863 3.3863 4.1582 1.7585 1.7585
H8 2.4504 1.0843 3.3863 4.1582 3.3863 1.7585 1.7585
Maximum atom distance is 4.1582Å between atoms Cl3 and H6.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.711 C2 Si1 Cl4 110.711
C2 Si1 Cl5 110.711 Cl3 Si1 Cl4 108.203
Cl3 Si1 Cl5 108.203 Cl4 Si1 Cl5 108.203
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.552 Si1 C2 H7 110.552
Si1 C2 H8 110.552 H6 C2 H7 108.369
H6 C2 H8 108.369 H7 C2 H8 108.369

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