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Geometry for BH3CO (Borane carbonyl) 1A1 C3V

1910171554
InChI=1S/CH3BO/c2-1-3/h2H3 INChIKey=ZJUVLBOEAXFSHP-UHFFFAOYSA-N

HF/CEP-121G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4163   -1.4163 0.0000 0.0000
C2 0.0000 0.0000 0.2312   0.2312 0.0000 0.0000
O3 0.0000 0.0000 1.3424   1.3424 0.0000 0.0000
H4 0.0000 1.1739 -1.6816   -1.6816 -0.1660 1.1621
H5 1.0166 -0.5869 -1.6816   -1.6816 1.0894 -0.4373
H6 -1.0166 -0.5869 -1.6816   -1.6816 -0.9234 -0.7248
Atom - Atom Distances (Å)
  B1 C2 O3 H4 H5 H6
B1 1.6476 2.7587 1.2035 1.2035 1.2035
C2 1.6476 1.1111 2.2443 2.2443 2.2443
O3 2.7587 1.1111 3.2438 3.2438 3.2438
H4 1.2035 2.2443 3.2438 2.0332 2.0332
H5 1.2035 2.2443 3.2438 2.0332 2.0332
H6 1.2035 2.2443 3.2438 2.0332 2.0332
Maximum atom distance is 3.2438Å between atoms O3 and H5.
picture of Borane carbonyl
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 C2 O3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 B1 H4 102.731 C2 B1 H5 102.731
C2 B1 H6 102.731 H4 B1 H5 115.287
H4 B1 H6 115.287 H5 B1 H6 115.287

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