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Geometry for C4H10O (1-Propanol, 2-methyl-) 1A C1

1910171554
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 INChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

QCISD/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4622 0.0019 -0.3635   -0.4653 0.0135 -0.3593
C2 -0.7575 -0.7398 0.2357   0.7418 -0.7580 0.2278
C3 1.7698 -0.7317 0.0358   -1.7863 -0.6894 0.0511
C4 0.4884 1.4808 0.1071   -0.4520 1.4919 0.1135
O5 -2.0381 -0.1247 -0.1596   2.0330 -0.1730 -0.1785
H6 0.3503 -0.0160 -1.4584   -0.3639 -0.0055 -1.4551
H7 1.7535 -1.7770 -0.3084   -1.7981 -1.7342 -0.2946
H8 2.6439 -0.2332 -0.4077   -2.6523 -0.1695 -0.3837
H9 1.8864 -0.7259 1.1310   -1.8928 -0.6824 1.1473
H10 -0.4352 1.9920 -0.1994   0.4807 1.9814 -0.2009
H11 0.5797 1.5269 1.2045   -0.5320 1.5385 1.2117
H12 1.3409 2.0157 -0.3353   -1.2954 2.0476 -0.3204
H13 -0.7988 -1.7650 -0.1542   0.7550 -1.7833 -0.1638
H14 -0.6472 -0.7890 1.3348   0.6404 -0.8062 1.3278
H15 -2.1459 0.7016 0.3799   2.1654 0.6497 0.3610
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.5482 1.5516 1.5522 2.5118 1.1007 2.1988 2.1947 2.1890 2.1892 2.1905 2.1973 2.1808 2.1773 2.8008
C2 1.5482 2.5352 2.5495 1.4746 2.1497 2.7707 3.4986 2.7914 2.7849 2.8044 3.5103 1.0977 1.1057 2.0065
C3 1.5516 2.5352 2.5577 3.8609 2.1817 1.1006 1.0996 1.1014 3.5122 2.8078 2.8054 2.7751 2.7446 4.1839
C4 1.5522 2.5495 2.5577 3.0054 2.1703 3.5194 2.8015 2.8057 1.0993 1.1021 1.0993 3.5015 2.8194 2.7607
O5 2.5118 1.4746 3.8609 3.0054 2.7209 4.1386 4.6898 4.1748 2.6554 3.3825 4.0037 2.0559 2.1469 0.9927
H6 1.1007 2.1497 2.1817 2.1703 2.7209 2.5283 2.5321 3.0933 2.4968 3.0861 2.5240 2.4659 3.0651 3.1820
H7 2.1988 2.7707 1.1006 3.5194 4.1386 2.5283 1.7849 1.7873 4.3597 3.8187 3.8152 2.5569 3.0724 4.6714
H8 2.1947 3.4986 1.0996 2.8015 4.6898 2.5321 1.7849 1.7844 3.8047 3.1556 2.6001 3.7766 3.7652 4.9432
H9 2.1890 2.7914 1.1014 2.8057 4.1748 3.0933 1.7873 1.7844 3.8140 2.6054 3.1566 3.1531 2.5426 4.3430
H10 2.1892 2.7849 3.5122 1.0993 2.6554 2.4968 4.3597 3.8047 3.8140 1.7937 1.7814 3.7748 3.1832 2.2197
H11 2.1905 2.8044 2.8078 1.1021 3.3825 3.0861 3.8187 3.1556 2.6054 1.7937 1.7859 3.8188 2.6241 2.9648
H12 2.1973 3.5103 2.8054 1.0993 4.0037 2.5240 3.8152 2.6001 3.1566 1.7814 1.7859 4.3480 3.8221 3.7942
H13 2.1808 1.0977 2.7751 3.5015 2.0559 2.4659 2.5569 3.7766 3.1531 3.7748 3.8188 4.3480 1.7868 2.8608
H14 2.1773 1.1057 2.7446 2.8194 2.1469 3.0651 3.0724 3.7652 2.5426 3.1832 2.6241 3.8221 1.7868 2.3194
H15 2.8008 2.0065 4.1839 2.7607 0.9927 3.1820 4.6714 4.9432 4.3430 2.2197 2.9648 3.7942 2.8608 2.3194
Maximum atom distance is 4.9432Å between atoms H8 and H15.
picture of 1-Propanol, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O5 112.369 C2 C1 C3 109.743
C2 C1 C4 110.633 C3 C1 C4 110.990
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H13 109.851 C1 C2 H14 109.120
C1 C3 H7 110.860 C1 C3 H8 110.594
C1 C3 H9 110.039 C1 C4 H10 110.140
C1 C4 H11 110.072 C1 C4 H12 110.775
C2 C1 H6 107.287 C2 O5 H15 107.203
C3 C1 H6 109.509 C4 C1 H6 108.592
O5 C2 H13 105.169 O5 C2 H14 111.820
H7 C3 H8 108.435 H7 C3 H9 108.515
H8 C3 H9 108.326 H10 C4 H11 109.130
H10 C4 H12 108.241 H11 C4 H12 108.431
H13 C2 H14 108.375

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