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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

AM1


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
C1 0.4267 0.0022 -0.3277
C2 -0.8055 -0.5984 0.3464
C3 1.6416 -0.8478 -0.0270
C4 0.6515 1.4295 0.1221
O5 -2.0121 -0.1067 -0.2027
H6 0.2464 0.0004 -1.4400
H7 1.4970 -1.8858 -0.4126
H8 2.5478 -0.4121 -0.5124
H9 1.8211 -0.9002 1.0740
H10 -0.2349 2.0631 -0.1229
H11 0.8246 1.4729 1.2246
H12 1.5440 1.8608 -0.3919
H13 -0.8515 -1.7066 0.1657
H14 -0.7772 -0.4035 1.4520
H15 -2.0063 0.8520 -0.0981
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15
C1 1.5275 1.5129 1.5133 2.4444 1.1269 2.1720 2.1691 2.1734 2.1742 2.1751 2.1696 2.1902 2.1866 2.5873
C2 1.5275 2.4879 2.5071 1.4139 2.1579 2.7450 3.4665 2.7421 2.7622 2.7782 3.4804 1.1237 1.1230 1.9348
C3 1.5129 2.4879 2.4877 3.7322 2.1593 1.1167 1.1166 1.1168 3.4647 2.7604 2.7349 2.6438 2.8697 4.0251
C4 1.5133 2.5071 2.4877 3.0919 2.1556 3.4629 2.7185 2.7752 1.1168 1.1168 1.1166 3.4779 2.6776 2.7287
O5 2.4444 1.4139 3.7322 3.0919 2.5774 3.9399 4.5805 4.1174 2.8058 3.5467 4.0685 2.0105 2.0859 0.9644
H6 1.1269 2.1579 2.1593 2.1556 2.5774 2.4855 2.5154 3.1002 2.4942 3.0989 2.4987 2.5879 3.0944 2.7569
H7 2.1720 2.7450 1.1167 3.4629 3.9399 2.4855 1.8127 1.8128 4.3217 3.7965 3.7470 2.4253 3.2933 4.4573
H8 2.1691 3.4665 1.1166 2.7185 4.5805 2.5154 1.8127 1.8119 3.7446 3.0887 2.4876 3.7000 3.8619 4.7444
H9 2.1734 2.7421 1.1168 2.7752 4.1174 3.1002 1.8128 1.8119 3.8002 2.5783 3.1383 2.9356 2.6722 4.3696
H10 2.1742 2.7622 3.4647 1.1168 2.8058 2.4942 4.3217 3.7446 3.8002 1.8129 1.8105 3.8307 2.9764 2.1459
H11 2.1751 2.7782 2.7604 1.1168 3.5467 3.0989 3.7965 3.0887 2.5783 1.8129 1.8114 3.7469 2.4776 3.1857
H12 2.1696 3.4804 2.7349 1.1166 4.0685 2.4987 3.7470 2.4876 3.1383 1.8105 1.8114 4.3331 3.7303 3.7025
H13 2.1902 1.1237 2.6438 3.4779 2.0105 2.5879 2.4253 3.7000 2.9356 3.8307 3.7469 4.3331 1.8325 2.8195
H14 2.1866 1.1230 2.8697 2.6776 2.0859 3.0944 3.2933 3.8619 2.6722 2.9764 2.4776 3.7303 1.8325 2.3431
H15 2.5873 1.9348 4.0251 2.7287 0.9644 2.7569 4.4573 4.7444 4.3696 2.1459 3.1857 3.7025 2.8195 2.3431
Maximum atom distance is 4.7444Å 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 112.349 C2 C1 C3 109.822
C2 C1 C4 111.071 C3 C1 C4 110.581
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H13 110.476 C1 C2 H14 110.238
C1 C3 H7 110.467 C1 C3 H8 110.247
C1 C3 H9 110.573 C1 C4 H10 110.609
C1 C4 H11 110.679 C1 C4 H12 110.258
C2 C1 H6 107.816 C2 O5 H15 107.365
C3 C1 H6 108.891 C4 C1 H6 108.582
O5 C2 H13 104.214 O5 C2 H14 110.088
H7 C3 H8 108.523 H7 C3 H9 108.521
H8 C3 H9 108.446 H10 C4 H11 108.513
H10 C4 H12 108.312 H11 C4 H12 108.396
H13 C2 H14 109.298

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