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Geometry for CH2CH(CH3)2 (Isobutyl radical) 2A' C1

1910171554
InChI=1S/C4H9/c1-4(2)3/h4H,1H2,2-3H3 INChIKey=KTOQRRDVVIDEAA-UHFFFAOYSA-N

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3588 0.0000   -0.3542 0.0574 -0.0000
C2 1.4717 0.1167 0.0000   -0.1152 0.0187 1.4717
H3 -0.1704 1.4448 0.0000   -1.4262 0.2310 -0.1704
H4 2.0308 0.1477 0.9223   0.0017 0.9340 2.0308
H5 2.0308 0.1477 -0.9223   -0.2932 -0.8868 2.0308
C6 -0.6521 -0.2065 -1.2604   0.0023 -1.2772 -0.6521
C7 -0.6521 -0.2065 1.2604   0.4053 1.2111 -0.6521
H8 -0.5104 -1.2853 -1.3071   1.0597 -1.4958 -0.5104
H9 -1.7219 -0.0043 -1.2711   -0.1990 -1.2554 -1.7219
H10 -0.2157 0.2320 -2.1564   -0.5738 -2.0916 -0.2157
H11 -0.5104 -1.2853 1.3071   1.4777 1.0848 -0.5104
H12 -1.7219 -0.0043 1.2711   0.2075 1.2540 -1.7219
H13 -0.2157 0.2320 2.1564   0.1158 2.1657 -0.2157
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 C6 C7 H8 H9 H10 H11 H12 H13
C1 1.4915 1.0992 2.2404 2.2404 1.5275 1.5275 2.1615 2.1709 2.1709 2.1615 2.1709 2.1709
C2 1.4915 2.1119 1.0790 1.0790 2.4907 2.4907 2.7573 3.4394 2.7406 2.7573 3.4394 2.7406
H3 1.0992 2.1119 2.7163 2.7163 2.1324 2.1324 3.0459 2.4745 2.4745 3.0459 2.4745 2.4745
H4 2.2404 1.0790 2.7163 1.8446 3.4767 2.7272 3.6716 4.3494 3.8121 2.9426 3.7720 2.5646
H5 2.2404 1.0790 2.7163 1.8446 2.7272 3.4767 2.9426 3.7720 2.5646 3.6716 4.3494 3.8121
C6 1.5275 2.4907 2.1324 3.4767 2.7272 2.5207 1.0891 1.0888 1.0888 2.7885 2.7557 3.4723
C7 1.5275 2.4907 2.1324 2.7272 3.4767 2.5207 2.7885 2.7557 3.4723 1.0891 1.0888 1.0888
H8 2.1615 2.7573 3.0459 3.6716 2.9426 1.0891 2.7885 1.7635 1.7635 2.6142 3.1235 3.7927
H9 2.1709 3.4394 2.4745 4.3494 3.7720 1.0888 2.7557 1.7635 1.7630 3.1235 2.5422 3.7513
H10 2.1709 2.7406 2.4745 3.8121 2.5646 1.0888 3.4723 1.7635 1.7630 3.7927 3.7513 4.3128
H11 2.1615 2.7573 3.0459 2.9426 3.6716 2.7885 1.0891 2.6142 3.1235 3.7927 1.7635 1.7635
H12 2.1709 3.4394 2.4745 3.7720 4.3494 2.7557 1.0888 3.1235 2.5422 3.7513 1.7635 1.7630
H13 2.1709 2.7406 2.4745 2.5646 3.8121 3.4723 1.0888 3.7927 3.7513 4.3128 1.7635 1.7630
Maximum atom distance is 4.3494Å between atoms H4 and H9.
picture of Isobutyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C6 111.172 C2 C1 C7 111.172
C6 C1 C7 111.199
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 120.440 C1 C2 H5 120.440
C1 C6 H8 110.269 C1 C6 H9 111.033
C1 C6 H10 111.033 C1 C7 H11 110.269
C1 C7 H12 111.033 C1 C7 H13 111.033
C2 C1 H3 108.259 H3 C1 C6 107.423
H3 C1 C7 107.423 H4 C2 H5 117.473
H8 C6 H9 108.142 H8 C6 H10 108.142
H9 C6 H10 108.115 H11 C7 H12 108.142
H11 C7 H13 108.142 H12 C7 H13 108.115

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