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Geometry for CH3BH2 (methylborane) 1A' CS

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

MP3/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0184 -0.6918 0.0000   0.0000 -0.0184 -0.6918
B2 -0.0184 0.8810 0.0000   0.0000 -0.0184 0.8810
H3 1.0646 -0.9539 0.0000   -0.0021 1.0646 -0.9539
H4 -0.4466 -1.1524 0.9049   0.9058 -0.4448 -1.1524
H5 -0.4466 -1.1524 -0.9049   -0.9041 -0.4484 -1.1524
H6 0.0155 1.5021 -1.0387   -1.0387 0.0135 1.5021
H7 0.0155 1.5021 1.0387   1.0386 0.0175 1.5021
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5728 1.1143 1.1020 1.1020 2.4275 2.4275
B2 1.5728 2.1307 2.2665 2.2665 1.2106 1.2106
H3 1.1143 2.1307 1.7726 1.7726 2.8655 2.8655
H4 1.1020 2.2665 1.7726 1.8099 3.3222 2.6977
H5 1.1020 2.2665 1.7726 1.8099 2.6977 3.3222
H6 2.4275 1.2106 2.8655 3.3222 2.6977 2.0773
H7 2.4275 1.2106 2.8655 2.6977 3.3222 2.0773
Maximum atom distance is 3.3222Å 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 120.863 C1 B2 H7 120.863
B2 C1 H3 103.606 B2 C1 H4 114.705
B2 C1 H5 114.705 H3 C1 H4 106.220
H3 C1 H5 106.220 H4 C1 H5 110.407
H6 B2 H7 118.172

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