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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

PBEPBE/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2678   0.0000 0.0000 0.2678
C2 0.0000 0.0000 2.1358   0.0000 0.0000 2.1358
Cl3 0.0000 1.9496 -0.4724   1.9496 0.0000 -0.4724
Cl4 1.6884 -0.9748 -0.4724   -0.9748 1.6884 -0.4724
Cl5 -1.6884 -0.9748 -0.4724   -0.9748 -1.6884 -0.4724
H6 0.0000 -1.0430 2.5095   -1.0430 0.0000 2.5095
H7 0.9033 0.5215 2.5095   0.5215 0.9033 2.5095
H8 -0.9033 0.5215 2.5095   0.5215 -0.9033 2.5095
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8680 2.0854 2.0854 2.0854 2.4725 2.4725 2.4725
C2 1.8680 3.2563 3.2563 3.2563 1.1080 1.1080 1.1080
Cl3 2.0854 3.2563 3.3769 3.3769 4.2247 3.4275 3.4275
Cl4 2.0854 3.2563 3.3769 3.3769 3.4275 3.4275 4.2247
Cl5 2.0854 3.2563 3.3769 3.3769 3.4275 4.2247 3.4275
H6 2.4725 1.1080 4.2247 3.4275 3.4275 1.8066 1.8066
H7 2.4725 1.1080 3.4275 3.4275 4.2247 1.8066 1.8066
H8 2.4725 1.1080 3.4275 4.2247 3.4275 1.8066 1.8066
Maximum atom distance is 4.2247Å 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 110.791 C2 Si1 Cl4 110.791
C2 Si1 Cl5 110.791 Cl3 Si1 Cl4 108.120
Cl3 Si1 Cl5 108.120 Cl4 Si1 Cl5 108.120
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.714 Si1 C2 H7 109.714
Si1 C2 H8 109.714 H6 C2 H7 109.227
H6 C2 H8 109.227 H7 C2 H8 109.227

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