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Geometry for HO2CCHNH2CH2OH (Serine) 1A C1

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

B3LYP/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7269 -0.5796 0.0055   0.7271 0.5795 -0.0039
O2 2.0445 -0.4477 -0.3354   2.0471 0.4430 0.3251
O3 0.2592 -1.5853 0.5324   0.2556 1.5917 -0.5147
C4 -0.0510 0.6945 -0.3218   -0.0488 -0.6984 0.3135
C5 -1.4836 0.5246 0.1932   -1.4852 -0.5218 -0.1882
O6 -2.1176 -0.6279 -0.3806   -2.1144 0.6237 0.4048
N7 0.5601 1.9221 0.2168   0.5578 -1.9194 -0.2449
H8 2.5540 -1.2688 -0.1135   2.5552 1.2667 0.1094
H9 -0.0853 0.7761 -1.4135   -0.0746 -0.7936 1.4044
H10 -1.4426 0.4872 1.2950   -1.4527 -0.4708 -1.2897
H11 -2.0463 1.4153 -0.0901   -2.0460 -1.4158 0.0884
H12 -1.6704 -1.4297 -0.0157   -1.6698 1.4298 0.0464
H13 1.4694 2.1217 -0.2078   1.4702 -2.1245 0.1701
H14 0.6582 1.8937 1.2364   0.6480 -1.8784 -1.2648
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3673 1.2279 1.5283 2.4781 2.8711 2.5162 1.9563 2.1240 2.7400 3.4175 2.5437 2.8096 2.7636
O2 1.3673 2.2879 2.3866 3.6976 4.1662 2.8503 0.9916 2.6825 3.9613 4.5017 3.8557 2.6361 3.1424
O3 1.2279 2.2879 2.4543 2.7576 2.7202 3.5344 2.4048 3.0792 2.7880 3.8349 2.0120 3.9691 3.5719
C4 1.5283 2.3866 2.4543 1.5318 2.4542 1.4733 3.2687 1.0954 2.1432 2.1341 2.6886 2.0884 2.0902
C5 2.4781 3.6976 2.7576 1.5318 1.4351 2.4760 4.4286 2.1448 1.1031 1.0910 1.9743 3.3811 2.7478
O6 2.8711 4.1662 2.7202 2.4542 1.4351 3.7456 4.7230 2.6774 2.1229 2.0650 0.9879 4.5229 4.0840
N7 2.5162 2.8503 3.5344 1.4733 2.4760 3.7456 3.7772 2.0947 2.6893 2.6729 4.0329 1.0232 1.0247
H8 1.9563 0.9916 2.4048 3.2687 4.4286 4.7230 3.7772 3.5830 4.5869 5.3261 4.2286 3.5610 3.9265
H9 2.1240 2.6825 3.0792 1.0954 2.1448 2.6774 2.0947 3.5830 3.0433 2.4506 3.0549 2.3836 2.9705
H10 2.7400 3.9613 2.7880 2.1432 1.1031 2.1229 2.6893 4.5869 3.0433 1.7732 2.3333 3.6619 2.5289
H11 3.4175 4.5017 3.8349 2.1341 1.0910 2.0650 2.6729 5.3261 2.4506 1.7732 2.8707 3.5878 3.0501
H12 2.5437 3.8557 2.0120 2.6886 1.9743 0.9879 4.0329 4.2286 3.0549 2.3333 2.8707 4.7442 4.2468
H13 2.8096 2.6361 3.9691 2.0884 3.3811 4.5229 1.0232 3.5610 2.3836 3.6619 3.5878 4.7442 1.6720
H14 2.7636 3.1424 3.5719 2.0902 2.7478 4.0840 1.0247 3.9265 2.9705 2.5289 3.0501 4.2468 1.6720
Maximum atom distance is 5.3261Å 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 108.155 C1 C4 N7 113.908
O2 C1 O3 123.578 O2 C1 C4 110.895
O3 C1 C4 125.506 C4 C5 O6 111.582
C5 C4 N7 110.945
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 111.067 C1 C4 H9 106.946
C4 C5 H10 107.743 C4 C5 H11 107.726
C4 N7 H13 112.301 C4 N7 H14 112.356
C5 C4 H9 108.305 C5 O6 H12 107.703
O6 C5 H10 112.866 O6 C5 H11 108.900
N7 C4 H9 108.376 H10 C5 H11 107.834
H13 N7 H14 109.462

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