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Geometry for HO2CCHNH2CH2OH (Serine) 1A C1

1910171554
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 INChIKey=MTCFGRXMJLQNBG-UWTATZPHSA-N

CCD/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7895 -0.5551 0.0133   -0.7887 0.5558 0.0266
O2 2.1009 -0.3716 -0.3702   -2.1032 0.3790 -0.3495
O3 0.3952 -1.5898 0.5650   -0.3888 1.5827 0.5888
C4 -0.0802 0.6753 -0.3073   0.0770 -0.6713 -0.3167
C5 -1.5286 0.4692 0.1950   1.5294 -0.4735 0.1773
O6 -2.1728 -0.6855 -0.3933   2.1707 0.6880 -0.4006
N7 0.4697 1.9436 0.2250   -0.4705 -1.9458 0.2028
H8 2.6761 -1.1405 -0.1764   -2.6758 1.1460 -0.1412
H9 -0.1178 0.7557 -1.4057   0.1063 -0.7372 -1.4163
H10 -1.5259 0.4206 1.3013   1.5351 -0.4395 1.2842
H11 -2.1049 1.3551 -0.0974   2.1023 -1.3563 -0.1310
H12 -1.8072 -1.5228 -0.0532   1.8088 1.5212 -0.0467
H13 1.3545 2.2155 -0.2035   -1.3589 -2.2110 -0.2225
H14 0.5664 1.9505 1.2425   -0.5596 -1.9660 1.2209
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3786 1.2372 1.5404 2.5408 2.9929 2.5279 1.9844 2.1342 2.8235 3.4697 2.7720 2.8359 2.7997
O2 1.3786 2.2953 2.4202 3.7682 4.2853 2.8940 0.9797 2.6955 4.0713 4.5546 4.0865 2.6978 3.2167
O3 1.2372 2.2953 2.4733 2.8420 2.8863 3.5505 2.4401 3.1061 2.8765 3.9194 2.2885 3.9990 3.6086
C4 1.5404 2.4202 2.4733 1.5468 2.4976 1.4813 3.3033 1.1020 2.1777 2.1460 2.8069 2.1075 2.1085
C5 2.5408 3.7682 2.8420 1.5468 1.4472 2.4835 4.5175 2.1528 1.1074 1.0966 2.0266 3.3942 2.7713
O6 2.9929 4.2853 2.8863 2.4976 1.4472 3.7785 4.8750 2.7064 2.1246 2.0631 0.9749 4.5710 4.1385
N7 2.5279 2.8940 3.5505 1.4813 2.4835 3.7785 3.8133 2.1012 2.7314 2.6605 4.1566 1.0201 1.0221
H8 1.9844 0.9797 2.4401 3.3033 4.5175 4.8750 3.8133 3.5935 4.7199 5.3937 4.5013 3.6070 4.0023
H9 2.1342 2.6955 3.1061 1.1020 2.1528 2.7064 2.1012 3.5935 3.0697 2.4534 3.1424 2.3967 2.9847
H10 2.8235 4.0713 2.8765 2.1777 1.1074 2.1246 2.7314 4.7199 3.0697 1.7790 2.3855 3.7126 2.5927
H11 3.4697 4.5546 3.9194 2.1460 1.0966 2.0631 2.6605 5.3937 2.4534 1.7790 2.8936 3.5663 3.0472
H12 2.7720 4.0865 2.2885 2.8069 2.0266 0.9749 4.1566 4.5013 3.1424 2.3855 2.8936 4.8984 4.4019
H13 2.8359 2.6978 3.9990 2.1075 3.3942 4.5710 1.0201 3.6070 2.3967 3.7126 3.5663 4.8984 1.6680
H14 2.7997 3.2167 3.6086 2.1085 2.7713 4.1385 1.0221 4.0023 2.9847 2.5927 3.0472 4.4019 1.6680
Maximum atom distance is 5.3937Å between atoms H8 and H11.
picture of Serine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 C5 110.773 C1 C4 N7 113.548
O2 C1 O3 122.590 O2 C1 C4 111.892
O3 C1 C4 125.509 C4 C5 O6 113.025
C5 C4 N7 110.182
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 113.512 C1 C4 H9 106.558
C4 C5 H10 109.150 C4 C5 H11 107.329
C4 N7 H13 113.535 C4 N7 H14 113.488
C5 C4 H9 107.542 C5 O6 H12 112.116
O6 C5 H10 111.851 O6 C5 H11 107.594
N7 C4 H9 107.958 H10 C5 H11 107.641
H13 N7 H14 109.528

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