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Geometry for CH3BH2 (methylborane) 1A' CS

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

M06-2X/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0121 -0.6840 0.0000   0.0000 -0.0121 -0.6840
B2 -0.0121 0.8785 0.0000   0.0000 -0.0121 0.8785
H3 1.0452 -0.9935 0.0000   -0.0014 1.0452 -0.9935
H4 -0.4667 -1.1223 0.8929   0.8935 -0.4655 -1.1223
H5 -0.4667 -1.1223 -0.8929   -0.8922 -0.4679 -1.1223
H6 0.0109 1.4749 -1.0060   -1.0061 0.0095 1.4749
H7 0.0109 1.4749 1.0060   1.0060 0.0122 1.4749
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5625 1.1017 1.0936 1.0936 2.3819 2.3819
B2 1.5625 2.1500 2.2376 2.2376 1.1698 1.1698
H3 1.1017 2.1500 1.7606 1.7606 2.8592 2.8592
H4 1.0936 2.2376 1.7606 1.7857 3.2526 2.6431
H5 1.0936 2.2376 1.7606 1.7857 2.6431 3.2526
H6 2.3819 1.1698 2.8592 3.2526 2.6431 2.0121
H7 2.3819 1.1698 2.8592 2.6431 3.2526 2.0121
Maximum atom distance is 3.2526Å 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 120.653 C1 B2 H7 120.653
B2 C1 H3 106.316 B2 C1 H4 113.625
B2 C1 H5 113.625 H3 C1 H4 106.639
H3 C1 H5 106.639 H4 C1 H5 109.466
H6 B2 H7 118.643

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