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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

CID/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2518   0.0000 0.0000 0.2518
C2 0.0000 0.0000 2.1022   0.0000 0.0000 2.1022
Cl3 0.0000 1.9145 -0.4624   1.9145 -0.0000 -0.4624
Cl4 1.6580 -0.9572 -0.4624   -0.9572 1.6580 -0.4624
Cl5 -1.6580 -0.9572 -0.4624   -0.9572 -1.6580 -0.4624
H6 0.0000 -1.0206 2.4821   -1.0206 0.0000 2.4821
H7 0.8839 0.5103 2.4821   0.5103 0.8839 2.4821
H8 -0.8839 0.5103 2.4821   0.5103 -0.8839 2.4821
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8505 2.0434 2.0434 2.0434 2.4527 2.4527 2.4527
C2 1.8505 3.2004 3.2004 3.2004 1.0890 1.0890 1.0890
Cl3 2.0434 3.2004 3.3160 3.3160 4.1575 3.3798 3.3798
Cl4 2.0434 3.2004 3.3160 3.3160 3.3798 3.3798 4.1575
Cl5 2.0434 3.2004 3.3160 3.3160 3.3798 4.1575 3.3798
H6 2.4527 1.0890 4.1575 3.3798 3.3798 1.7677 1.7677
H7 2.4527 1.0890 3.3798 3.3798 4.1575 1.7677 1.7677
H8 2.4527 1.0890 3.3798 4.1575 3.3798 1.7677 1.7677
Maximum atom distance is 4.1575Å 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 110.458 C2 Si1 Cl4 110.458
C2 Si1 Cl5 110.458 Cl3 Si1 Cl4 108.467
Cl3 Si1 Cl5 108.467 Cl4 Si1 Cl5 108.467
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.415 Si1 C2 H7 110.415
Si1 C2 H8 110.415 H6 C2 H7 108.511
H6 C2 H8 108.511 H7 C2 H8 108.511

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