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Geometry for CH3BH2 (methylborane) 1A' CS

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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0233 -0.6834 0.0000   0.0000 -0.0233 -0.6834
B2 -0.0233 0.8718 0.0000   0.0000 -0.0233 0.8718
H3 1.0754 -0.9171 0.0000   -0.0010 1.0754 -0.9171
H4 -0.4243 -1.1681 0.9119   0.9123 -0.4234 -1.1681
H5 -0.4243 -1.1681 -0.9119   -0.9115 -0.4252 -1.1681
H6 0.0149 1.4975 -1.0452   -1.0452 0.0139 1.4975
H7 0.0149 1.4975 1.0452   1.0452 0.0159 1.4975
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5553 1.1233 1.1078 1.1078 2.4187 2.4187
B2 1.5553 2.0994 2.2701 2.2701 1.2187 1.2187
H3 1.1233 2.0994 1.7730 1.7730 2.8368 2.8368
H4 1.1078 2.2701 1.7730 1.8238 3.3359 2.7048
H5 1.1078 2.2701 1.7730 1.8238 2.7048 3.3359
H6 2.4187 1.2187 2.8368 3.3359 2.7048 2.0903
H7 2.4187 1.2187 2.8368 2.7048 3.3359 2.0903
Maximum atom distance is 3.3359Å 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 120.888 C1 B2 H7 120.888
B2 C1 H3 102.008 B2 C1 H4 115.944
B2 C1 H5 115.944 H3 C1 H4 105.248
H3 C1 H5 105.248 H4 C1 H5 110.804
H6 B2 H7 118.097

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