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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

CID/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.9803 -0.0472 -0.0648   -1.9799 -0.0616 -0.0629
H2 2.0735 -0.8182 -0.8326   -2.0684 -0.8514 -0.8119
H3 2.6761 0.7559 -0.3066   -2.6810 0.7309 -0.3236
H4 2.3165 -0.4970 0.8778   -2.3130 -0.4908 0.8904
C5 0.5759 0.4515 0.0291   -0.5788 0.4483 0.0185
H6 0.4120 1.4626 0.3825   -0.4214 1.4687 0.3474
C7 -0.5707 -0.5061 0.0959   0.5740 -0.4999 0.1078
H8 -0.5564 -1.0410 1.0561   0.5634 -1.0117 1.0806
H9 -0.4396 -1.2797 -0.6671   0.4477 -1.2925 -0.6364
C10 -1.9284 0.1671 -0.0819   1.9273 0.1776 -0.0866
H11 -2.0946 0.9175 0.6922   2.0887 0.9475 0.6691
H12 -1.9897 0.6663 -1.0490   1.9850 0.6538 -1.0655
H13 -2.7401 -0.5582 -0.0233   2.7436 -0.5408 -0.0109
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 C7 H8 H9 C10 H11 H12 H13
C1 1.0921 1.0898 1.0972 1.4933 2.2224 2.5969 2.9460 2.7817 3.9146 4.2554 4.1519 4.7481
H2 1.0921 1.7657 1.7572 2.1442 3.0724 2.8198 3.2455 2.5605 4.1893 4.7656 4.3313 4.8881
H3 1.0898 1.7657 1.7612 2.1485 2.4699 3.5066 3.9414 3.7391 4.6474 4.8767 4.7253 5.5805
H4 1.0972 1.7572 1.7612 2.1563 2.7771 2.9912 2.9293 3.2550 4.4024 4.6360 4.8588 5.1365
C5 1.4933 2.1442 2.1485 2.1563 1.0836 1.4953 2.1364 2.1243 2.5228 2.7907 2.7911 3.4666
H6 2.2224 3.0724 2.4699 2.7771 1.0836 2.2189 2.7676 3.0573 2.7151 2.5838 2.9071 3.7662
C7 2.5969 2.8198 3.5066 2.9912 1.4953 2.2189 1.0993 1.0945 1.5259 2.1690 2.1676 2.1733
H8 2.9460 3.2455 3.9414 2.9293 2.1364 2.7676 1.0993 1.7436 2.1534 2.5168 3.0660 2.4833
H9 2.7817 2.5605 3.7391 3.2550 2.1243 3.0573 1.0945 1.7436 2.1570 3.0683 2.5170 2.4954
C10 3.9146 4.1893 4.6474 4.4024 2.5228 2.7151 1.5259 2.1534 2.1570 1.0908 1.0901 1.0901
H11 4.2554 4.7656 4.8767 4.6360 2.7907 2.5838 2.1690 2.5168 3.0683 1.0908 1.7623 1.7625
H12 4.1519 4.3313 4.7253 4.8588 2.7911 2.9071 2.1676 3.0660 2.5170 1.0901 1.7623 1.7648
H13 4.7481 4.8881 5.5805 5.1365 3.4666 3.7662 2.1733 2.4833 2.4954 1.0901 1.7625 1.7648
Maximum atom distance is 5.5805Å 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 120.671 C5 C7 C10 113.238
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 118.317 H2 C1 H3 108.044
H2 C1 H4 106.761 H2 C1 C5 111.117
H3 C1 H4 107.286 H3 C1 C5 111.613
H4 C1 C5 111.782 C5 C7 H8 109.916
C5 C7 H9 109.246 H6 C5 C7 117.841
C7 C10 H11 110.878 C7 C10 H12 110.816
C7 C10 H13 111.265 H8 C7 H9 105.279
H8 C7 C10 109.149 H9 C7 C10 109.707
H11 C10 H12 107.817 H11 C10 H13 107.832
H12 C10 H13 108.093

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