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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

mPW1PW91/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7700 -0.5463 -0.0030   -0.7682 0.5487 0.0095
O2 2.0530 -0.3505 -0.3439   -2.0543 0.3611 -0.3246
O3 0.3792 -1.5625 0.5269   -0.3704 1.5568 0.5495
C4 -0.0851 0.6780 -0.3129   0.0807 -0.6743 -0.3220
C5 -1.5092 0.4528 0.1890   1.5091 -0.4598 0.1723
O6 -2.0974 -0.6879 -0.3735   2.0968 0.6862 -0.3799
N7 0.4507 1.9173 0.2232   -0.4552 -1.9185 0.2022
H8 2.5355 -1.1534 -0.1050   -2.5325 1.1624 -0.0721
H9 -0.1229 0.7651 -1.4046   0.1104 -0.7476 -1.4150
H10 -1.4946 0.4079 1.2885   1.5026 -0.4289 1.2723
H11 -2.1057 1.3203 -0.0990   2.1007 -1.3254 -0.1310
H12 -1.6261 -1.4401 0.0001   1.6306 1.4349 0.0066
H13 1.3526 2.1280 -0.1843   -1.3606 -2.1213 -0.2015
H14 0.5740 1.8512 1.2268   -0.5711 -1.8649 1.2074
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3419 1.2109 1.5252 2.4960 2.8946 2.4945 1.8698 2.1169 2.7761 3.4297 2.5573 2.7431 2.7017
O2 1.3419 2.2426 2.3729 3.6904 4.1642 2.8340 0.9667 2.6654 3.9781 4.4884 3.8525 2.5805 3.0825
O3 1.2109 2.2426 2.4374 2.7824 2.7765 3.4937 2.2840 3.0660 2.8237 3.8570 2.0769 3.8824 3.4901
C4 1.5252 2.3729 2.4374 1.5267 2.4328 1.4527 3.2039 1.0959 2.1503 2.1309 2.6380 2.0460 2.0449
C5 2.4960 3.6904 2.7824 1.5267 1.4013 2.4469 4.3619 2.1352 1.1005 1.0914 1.9059 3.3370 2.7153
O6 2.8946 4.1642 2.7765 2.4328 1.4013 3.6927 4.6639 2.6595 2.0800 2.0269 0.9630 4.4573 4.0180
N7 2.4945 2.8340 3.4937 1.4527 2.4469 3.6927 3.7260 2.0752 2.6828 2.6449 3.9541 1.0119 1.0133
H8 1.8698 0.9667 2.2840 3.2039 4.3619 4.6639 3.7260 3.5266 4.5411 5.2592 4.1728 3.4890 3.8274
H9 2.1169 2.6654 3.0660 1.0959 2.1352 2.6595 2.0752 3.5266 3.0433 2.4381 3.0159 2.3503 2.9308
H10 2.7761 3.9781 2.8237 2.1503 1.1005 2.0800 2.6828 4.5411 3.0433 1.7694 2.2566 3.6379 2.5231
H11 3.4297 4.4884 3.8570 2.1309 1.0914 2.0269 2.6449 5.2592 2.4381 1.7694 2.8034 3.5524 3.0365
H12 2.5573 3.8525 2.0769 2.6380 1.9059 0.9630 3.9541 4.1728 3.0159 2.2566 2.8034 4.6517 4.1446
H13 2.7431 2.5805 3.8824 2.0460 3.3370 4.4573 1.0119 3.4890 2.3503 3.6379 3.5524 4.6517 1.6353
H14 2.7017 3.0825 3.4901 2.0449 2.7153 4.0180 1.0133 3.8274 2.9308 2.5231 3.0365 4.1446 1.6353
Maximum atom distance is 5.2592Å 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 109.742 C1 C4 N7 113.767
O2 C1 O3 122.836 O2 C1 C4 111.550
O3 C1 C4 125.565 C4 C5 O6 112.312
C5 C4 N7 110.404
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 107.052 C1 C4 H9 106.589
C4 C5 H10 108.787 C4 C5 H11 107.805
C4 N7 H13 110.967 C4 N7 H14 110.780
C5 C4 H9 107.881 C5 O6 H12 105.943
O6 C5 H10 111.928 O6 C5 H11 108.164
N7 C4 H9 108.215 H10 C5 H11 107.656
H13 N7 H14 107.701

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