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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

wB97X-D/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2506   0.0000 0.0000 0.2506
C2 0.0000 0.0000 2.0989   0.0000 0.0000 2.0989
Cl3 0.0000 1.9121 -0.4615   1.9121 0.0000 -0.4615
Cl4 1.6560 -0.9561 -0.4615   -0.9561 1.6560 -0.4615
Cl5 -1.6560 -0.9561 -0.4615   -0.9561 -1.6560 -0.4615
H6 0.0000 -1.0290 2.4773   -1.0290 0.0000 2.4773
H7 0.8912 0.5145 2.4773   0.5145 0.8912 2.4773
H8 -0.8912 0.5145 2.4773   0.5145 -0.8912 2.4773
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8483 2.0404 2.0404 2.0404 2.4530 2.4530 2.4530
C2 1.8483 3.1956 3.1956 3.1956 1.0964 1.0964 1.0964
Cl3 2.0404 3.1956 3.3119 3.3119 4.1577 3.3740 3.3740
Cl4 2.0404 3.1956 3.3119 3.3119 3.3740 3.3740 4.1577
Cl5 2.0404 3.1956 3.3119 3.3119 3.3740 4.1577 3.3740
H6 2.4530 1.0964 4.1577 3.3740 3.3740 1.7823 1.7823
H7 2.4530 1.0964 3.3740 3.3740 4.1577 1.7823 1.7823
H8 2.4530 1.0964 3.3740 4.1577 3.3740 1.7823 1.7823
Maximum atom distance is 4.1577Å between atoms Cl4 and H8.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.426 C2 Si1 Cl4 110.426
C2 Si1 Cl5 110.426 Cl3 Si1 Cl4 108.500
Cl3 Si1 Cl5 108.500 Cl4 Si1 Cl5 108.500
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.191 Si1 C2 H7 110.191
Si1 C2 H8 110.191 H6 C2 H7 108.742
H6 C2 H8 108.742 H7 C2 H8 108.742

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