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Geometry for CH3CHCH2CH3 (2-Butyl radical) 1A C1

1910171554
InChI=1S/C4H9/c1-3-4-2/h3H,4H2,1-2H3 INChIKey=ULOIAOPTGWSNHU-UHFFFAOYSA-N

HF/SDD


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.0025 -0.0482 -0.0489   2.0021 -0.0601 -0.0495
H2 2.1098 -0.8200 -0.8061   2.1047 -0.8134 -0.8259
H3 2.6972 0.7502 -0.2844   2.7022 0.7393 -0.2647
H4 2.3173 -0.4858 0.8993   2.3137 -0.5235 0.8874
C5 0.5811 0.4555 0.0165   0.5841 0.4511 0.0280
H6 0.4073 1.4802 0.3042   0.4169 1.4694 0.3414
C7 -0.5768 -0.5144 0.0741   -0.5802 -0.5122 0.0610
H8 -0.5470 -1.0699 1.0133   -0.5544 -1.0914 0.9860
H9 -0.4614 -1.2581 -0.7116   -0.4694 -1.2367 -0.7430
C10 -1.9475 0.1693 -0.0626   -1.9463 0.1837 -0.0588
H11 -2.1023 0.8899 0.7345   -2.0967 0.8850 0.7561
H12 -2.0242 0.6959 -1.0080   -2.0192 0.7343 -0.9907
H13 -2.7525 -0.5566 -0.0161   -2.7561 -0.5378 -0.0308
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 C7 H8 H9 C10 H11 H12 H13
C1 1.0866 1.0842 1.0907 1.5094 2.2372 2.6239 2.9448 2.8238 3.9560 4.2828 4.2057 4.7822
H2 1.0866 1.7558 1.7502 2.1542 3.0696 2.8436 3.2298 2.6100 4.2419 4.7999 4.4078 4.9331
H3 1.0842 1.7558 1.7530 2.1575 2.4744 3.5279 3.9397 3.7673 4.6861 4.9084 4.7768 5.6106
H4 1.0907 1.7502 1.7530 2.1633 2.8049 3.0096 2.9255 3.3034 4.4208 4.6317 4.8871 5.1523
C5 1.5094 2.1542 2.1575 2.1633 1.0784 1.5115 2.1432 2.1338 2.5460 2.8116 2.8098 3.4840
H6 2.2372 3.0696 2.4744 2.8049 1.0784 2.2360 2.8137 3.0471 2.7200 2.6138 2.8722 3.7730
C7 2.6239 2.8436 3.5279 3.0096 1.5115 2.2360 1.0916 1.0880 1.5379 2.1761 2.1751 2.1780
H8 2.9448 3.2298 3.9397 2.9255 2.1432 2.8137 1.0916 1.7373 2.1575 2.5174 3.0637 2.4875
H9 2.8238 2.6100 3.7673 3.3034 2.1338 3.0471 1.0880 1.7373 2.1604 3.0655 2.5196 2.4950
C10 3.9560 4.2419 4.6861 4.4208 2.5460 2.7200 1.5379 2.1575 2.1604 1.0856 1.0849 1.0849
H11 4.2828 4.7999 4.9084 4.6317 2.8116 2.6138 2.1761 2.5174 3.0655 1.0856 1.7550 1.7545
H12 4.2057 4.4078 4.7768 4.8871 2.8098 2.8722 2.1751 3.0637 2.5196 1.0849 1.7550 1.7558
H13 4.7822 4.9331 5.6106 5.1523 3.4840 3.7730 2.1780 2.4875 2.4950 1.0849 1.7545 1.7558
Maximum atom distance is 5.6106Å between atoms H3 and H13.
picture of 2-Butyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C7 120.590 C5 C7 C10 113.213
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 118.711 H2 C1 H3 107.962
H2 C1 H4 106.996 H2 C1 C5 111.114
H3 C1 H4 107.416 H3 C1 C5 111.533
H4 C1 C5 111.601 C5 C7 H8 109.783
C5 C7 H9 109.259 H6 C5 C7 118.428
C7 C10 H11 110.909 C7 C10 H12 110.872
C7 C10 H13 111.106 H8 C7 H9 105.698
H8 C7 C10 109.089 H9 C7 C10 109.524
H11 C10 H12 107.913 H11 C10 H13 107.869
H12 C10 H13 108.037

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