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Geometry for C3H7OH (1-Propanol) 1A C1

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InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 INChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N

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Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.5397 -0.5132 0.1270   1.5539 -0.4570 0.1640
C2 -0.6324 0.6369 -0.2894   0.6151 0.6484 -0.3011
C3 0.7628 0.5378 0.2937   -0.7844 0.5209 0.2660
O4 1.3867 -0.6267 -0.2181   -1.3619 -0.6795 -0.2165
H5 -2.5320 -0.4091 -0.3124   2.5484 -0.3334 -0.2652
H6 -1.6562 -0.5443 1.2124   1.6556 -0.4498 1.2513
H7 -1.1244 -1.4681 -0.1924   1.1752 -1.4348 -0.1302
H8 -0.5496 0.6742 -1.3780   0.5469 0.6484 -1.3914
H9 -1.0638 1.5895 0.0278   1.0100 1.6245 -0.0088
H10 0.7008 0.4925 1.3888   -0.7368 0.5122 1.3628
H11 1.3392 1.4314 0.0273   -1.3861 1.3858 -0.0366
H12 2.2479 -0.7215 0.1839   -2.2252 -0.7905 0.1767
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5230 2.5366 2.9489 1.0901 1.0921 1.0891 2.1576 2.1583 2.7611 3.4756 3.7938
C2 1.5230 1.5154 2.3830 2.1686 2.1677 2.1639 1.0924 1.0928 2.1481 2.1491 3.2196
C3 2.5366 1.5154 1.4168 3.4813 2.8048 2.7967 2.1297 2.1244 1.0978 1.0962 1.9502
O4 2.9489 2.3830 1.4168 3.9259 3.3634 2.6485 2.6052 3.3132 2.0749 2.0733 0.9551
H5 1.0901 2.1686 3.4813 3.9259 1.7636 1.7655 2.4977 2.5031 3.7626 4.2998 4.8157
H6 1.0921 2.1677 2.8048 3.3634 1.7636 1.7635 3.0691 2.5114 2.5810 3.7789 4.0412
H7 1.0891 2.1639 2.7967 2.6485 1.7655 1.7635 2.5150 3.0662 3.1105 3.8111 3.4744
H8 2.1576 1.0924 2.1297 2.6052 2.4977 3.0691 2.5150 1.7546 3.0416 2.4730 3.4948
H9 2.1583 1.0928 2.1244 3.3132 2.5031 2.5114 3.0662 1.7546 2.4838 2.4081 4.0413
H10 2.7611 2.1481 1.0978 2.0749 3.7626 2.5810 3.1105 3.0416 2.4838 1.7728 2.3063
H11 3.4756 2.1491 1.0962 2.0733 4.2998 3.7789 3.8111 2.4730 2.4081 1.7728 2.3421
H12 3.7938 3.2196 1.9502 0.9551 4.8157 4.0412 3.4744 3.4948 4.0413 2.3063 2.3421
Maximum atom distance is 4.8157Å between atoms H5 and H12.
picture of 1-Propanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 113.199 C2 C3 O4 108.678
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.079 C1 C2 H9 110.109
C2 C1 H5 111.093 C2 C1 H6 110.898
C2 C1 H7 110.779 C2 C3 H10 109.540
C2 C3 H11 109.708 C3 C2 H8 108.415
C3 C2 H9 107.985 C3 O4 H12 109.067
O4 C3 H10 110.563 O4 C3 H11 110.535
H5 C1 H6 107.831 H5 C1 H7 108.219
H6 C1 H7 107.892 H8 C2 H9 106.827
H10 C3 H11 107.806

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