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Geometry for CH3BH2 (methylborane) 1A' CS

1910171554
InChI=1S/CH5B/c1-2/h2H2,1H3 INChIKey=PLFLRQISROSEIJ-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0147 -0.6875 0.0000   0.0000 -0.0147 -0.6875
B2 -0.0147 0.8773 0.0000   0.0000 -0.0147 0.8773
H3 1.0467 -0.9838 0.0000   -0.0006 1.0467 -0.9838
H4 -0.4575 -1.1337 0.8931   0.8934 -0.4570 -1.1337
H5 -0.4575 -1.1337 -0.8931   -0.8929 -0.4580 -1.1337
H6 0.0151 1.4948 -1.0255   -1.0255 0.0145 1.4948
H7 0.0151 1.4948 1.0255   1.0255 0.0156 1.4948
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5648 1.1019 1.0922 1.0922 2.4115 2.4115
B2 1.5648 2.1425 2.2446 2.2446 1.1975 1.1975
H3 1.1019 2.1425 1.7557 1.7557 2.8739 2.8739
H4 1.0922 2.2446 1.7557 1.7862 3.2884 2.6740
H5 1.0922 2.2446 1.7557 1.7862 2.6740 3.2884
H6 2.4115 1.1975 2.8739 3.2884 2.6740 2.0511
H7 2.4115 1.1975 2.8739 2.6740 3.2884 2.0511
Maximum atom distance is 3.2884Å between atoms H4 and H6.
picture of methylborane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 B2 H6 121.043 C1 B2 H7 121.043
B2 C1 H3 105.599 B2 C1 H4 114.115
B2 C1 H5 114.115 H3 C1 H4 106.298
H3 C1 H5 106.298 H4 C1 H5 109.718
H6 B2 H7 117.834

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