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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

MP3=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7749 -0.5428 0.0045   0.7749 -0.5427 -0.0091
O2 2.0553 -0.3458 -0.3608   2.0524 -0.3406 -0.3820
O3 0.3939 -1.5577 0.5447   0.3983 -1.5648 0.5205
C4 -0.0882 0.6730 -0.3112   -0.0907 0.6771 -0.3014
C5 -1.5107 0.4489 0.1932   -1.5091 0.4460 0.2114
O6 -2.1060 -0.6906 -0.3850   -2.1090 -0.6857 -0.3772
N7 0.4440 1.9195 0.2259   0.4457 1.9163 0.2481
H8 2.5496 -1.1498 -0.1255   2.5485 -1.1477 -0.1616
H9 -0.1263 0.7588 -1.4038   -0.1377 0.7776 -1.3924
H10 -1.4981 0.3939 1.2927   -1.4876 0.3763 1.3099
H11 -2.1064 1.3188 -0.0911   -2.1071 1.3196 -0.0563
H12 -1.6489 -1.4595 -0.0138   -1.6490 -1.4594 -0.0201
H13 1.3491 2.1303 -0.1829   1.3476 2.1328 -0.1652
H14 0.5713 1.8492 1.2324   0.5812 1.8325 1.2526
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3460 1.2112 1.5240 2.4986 2.9108 2.4942 1.8801 2.1188 2.7755 3.4317 2.5915 2.7405 2.6965
O2 1.3460 2.2470 2.3738 3.6953 4.1756 2.8411 0.9727 2.6585 3.9885 4.4904 3.8836 2.5810 3.0917
O3 1.2112 2.2470 2.4373 2.7888 2.8045 3.4921 2.2940 3.0714 2.8192 3.8639 2.1201 3.8786 3.4801
C4 1.5240 2.3738 2.4373 1.5259 2.4364 1.4579 3.2117 1.0966 2.1537 2.1304 2.6593 2.0509 2.0497
C5 2.4986 3.6953 2.7888 1.5259 1.4096 2.4463 4.3753 2.1361 1.1009 1.0919 1.9245 3.3388 2.7159
O6 2.9108 4.1756 2.8045 2.4364 1.4096 3.6997 4.6853 2.6567 2.0881 2.0308 0.9684 4.4650 4.0292
N7 2.4942 2.8411 3.4921 1.4579 2.4463 3.6997 3.7387 2.0804 2.6901 2.6393 3.9818 1.0154 1.0170
H8 1.8801 0.9727 2.2940 3.2117 4.3753 4.6853 3.7387 3.5266 4.5583 5.2700 4.2114 3.4934 3.8408
H9 2.1188 2.6585 3.0714 1.0966 2.1361 2.6567 2.0804 3.5266 3.0472 2.4408 3.0284 2.3555 2.9369
H10 2.7755 3.9885 2.8192 2.1537 1.1009 2.0881 2.6901 4.5583 3.0472 1.7720 2.2726 3.6468 2.5306
H11 3.4317 4.4904 3.8639 2.1304 1.0919 2.0308 2.6393 5.2700 2.4408 1.7720 2.8167 3.5508 3.0337
H12 2.5915 3.8836 2.1201 2.6593 1.9245 0.9684 3.9818 4.2114 3.0284 2.2726 2.8167 4.6802 4.1750
H13 2.7405 2.5810 3.8786 2.0509 3.3388 4.4650 1.0154 3.4934 2.3555 3.6468 3.5508 4.6802 1.6393
H14 2.6965 3.0917 3.4801 2.0497 2.7159 4.0292 1.0170 3.8408 2.9369 2.5306 3.0337 4.1750 1.6393
Maximum atom distance is 5.2700Å 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 110.020 C1 C4 N7 113.516
O2 C1 O3 122.882 O2 C1 C4 111.457
O3 C1 C4 125.637 C4 C5 O6 112.134
C5 C4 N7 110.123
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 107.265 C1 C4 H9 106.771
C4 C5 H10 109.074 C4 C5 H11 107.789
C4 N7 H13 110.767 C4 N7 H14 110.567
C5 C4 H9 107.966 C5 O6 H12 106.577
O6 C5 H10 111.971 O6 C5 H11 107.869
N7 C4 H9 108.230 H10 C5 H11 107.820
H13 N7 H14 107.533

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