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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

MP2/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4632 0.0031 -0.3538   -0.4659 0.0145 -0.3498
C2 -0.7719 -0.7232 0.2578   0.7568 -0.7415 0.2505
C3 1.7677 -0.7732 0.0228   -1.7851 -0.7315 0.0370
C4 0.5418 1.4939 0.1099   -0.5056 1.5060 0.1160
O5 -2.0720 -0.1187 -0.1679   2.0671 -0.1672 -0.1856
H6 0.3335 -0.0178 -1.4524   -0.3461 -0.0082 -1.4495
H7 1.7191 -1.8212 -0.3225   -1.7642 -1.7799 -0.3098
H8 2.6499 -0.2996 -0.4411   -2.6598 -0.2366 -0.4189
H9 1.9170 -0.7757 1.1187   -1.9252 -0.7318 1.1341
H10 -0.3284 2.0719 -0.2465   0.3750 2.0639 -0.2471
H11 0.5820 1.5551 1.2145   -0.5349 1.5669 1.2210
H12 1.4483 1.9777 -0.2926   -1.4038 2.0116 -0.2783
H13 -0.8381 -1.7577 -0.1080   0.7955 -1.7768 -0.1170
H14 -0.7039 -0.7283 1.3646   0.6981 -0.7463 1.3578
H15 -2.2082 0.7422 0.2881   2.2274 0.6897 0.2701
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.5579 1.5641 1.5631 2.5448 1.1064 2.2151 2.2093 2.2110 2.2176 2.2095 2.2075 2.2032 2.2022 2.8450
C2 1.5579 2.5509 2.5813 1.4956 2.1550 2.7835 3.5180 2.8238 2.8746 2.8176 3.5394 1.0993 1.1089 2.0521
C3 1.5641 2.5509 2.5787 3.8997 2.1917 1.1045 1.1035 1.1060 3.5441 2.8718 2.7873 2.7886 2.8127 4.2631
C4 1.5631 2.5813 2.5787 3.0838 2.1838 3.5444 2.8220 2.8390 1.1038 1.1070 1.1035 3.5390 2.8397 2.8565
O5 2.5448 1.4956 3.8997 3.0838 2.7288 4.1587 4.7332 4.2425 2.8009 3.4287 4.0991 2.0524 2.1428 0.9837
H6 1.1064 2.1550 2.1917 2.1838 2.7288 2.5395 2.5431 3.1132 2.5018 3.1061 2.5632 2.4914 3.0848 3.1728
H7 2.2151 2.7835 1.1045 3.5444 4.1587 2.5395 1.7877 1.7915 4.3994 3.8801 3.8087 2.5670 3.1483 4.7294
H8 2.2093 3.5180 1.1035 2.8220 4.7332 2.5431 1.7877 1.7880 3.8121 3.2337 2.5792 3.7951 3.8330 5.0217
H9 2.2110 2.8238 1.1060 2.8390 4.2425 3.1132 1.7915 1.7880 3.8748 2.6878 3.1294 3.1717 2.6328 4.4733
H10 2.2176 2.8746 3.5441 1.1038 2.8009 2.5018 4.3994 3.8121 3.8748 1.7972 1.7798 3.8659 3.2523 2.3638
H11 2.2095 2.8176 2.8718 1.1070 3.4287 3.1061 3.8801 3.2337 2.6878 1.7972 1.7890 3.8393 2.6248 3.0502
H12 2.2075 3.5394 2.7873 1.1035 4.0991 2.5632 3.8087 2.5792 3.1294 1.7798 1.7890 4.3835 3.8341 3.9030
H13 2.2032 1.0993 2.7886 3.5390 2.0524 2.4914 2.5670 3.7951 3.1717 3.8659 3.8393 4.3835 1.8018 2.8781
H14 2.2022 1.1089 2.8127 2.8397 2.1428 3.0848 3.1483 3.8330 2.6328 3.2523 2.6248 3.8341 1.8018 2.3630
H15 2.8450 2.0521 4.2631 2.8565 0.9837 3.1728 4.7294 5.0217 4.4733 2.3638 3.0502 3.9030 2.8781 2.3630
Maximum atom distance is 5.0217Å 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 112.892 C2 C1 C3 109.591
C2 C1 C4 111.598 C3 C1 C4 111.098
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H13 110.844 C1 C2 H14 110.202
C1 C3 H7 111.042 C1 C3 H8 110.642
C1 C3 H9 110.626 C1 C4 H10 111.344
C1 C4 H11 110.521 C1 C4 H12 110.568
C2 C1 H6 106.743 C2 O5 H15 110.007
C3 C1 H6 109.110 C4 C1 H6 108.570
O5 C2 H13 103.492 O5 C2 H14 109.832
H7 C3 H8 108.115 H7 C3 H9 108.274
H8 C3 H9 108.036 H10 C4 H11 108.767
H10 C4 H12 107.472 H11 C4 H12 108.053
H13 C2 H14 109.362

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