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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

CCD/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7872 -0.5439 0.0055   -0.7869 -0.5444 -0.0064
O2 2.0641 -0.3318 -0.3667   -2.0608 -0.3382 0.3791
O3 0.4143 -1.5604 0.5470   -0.4179 -1.5531 -0.5649
C4 -0.0916 0.6710 -0.3089   0.0938 0.6668 0.3173
C5 -1.5199 0.4361 0.1988   1.5180 0.4399 -0.2054
O6 -2.1218 -0.6929 -0.3894   2.1254 -0.6967 0.3623
N7 0.4329 1.9251 0.2258   -0.4359 1.9277 -0.1958
H8 2.5531 -1.1329 -0.1273   -2.5513 -1.1364 0.1327
H9 -0.1316 0.7568 -1.4112   0.1428 0.7374 1.4203
H10 -1.4998 0.3718 1.3079   1.4887 0.3908 -1.3150
H11 -2.1219 1.3180 -0.0743   2.1216 1.3184 0.0749
H12 -1.6531 -1.4543 -0.0285   1.6542 -1.4534 -0.0051
H13 1.3461 2.1251 -0.1808   -1.3458 2.1215 0.2211
H14 0.5711 1.8414 1.2342   -0.5823 1.8578 -1.2040
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3468 1.2106 1.5321 2.5141 2.9395 2.5040 1.8662 2.1314 2.7866 3.4549 2.6048 2.7333 2.6919
O2 1.3468 2.2508 2.3782 3.7087 4.2015 2.8469 0.9687 2.6640 4.0001 4.5088 3.8977 2.5664 3.0845
O3 1.2106 2.2508 2.4429 2.8015 2.8393 3.5003 2.2829 3.0825 2.8243 3.8864 2.1486 3.8706 3.4741
C4 1.5321 2.3782 2.4429 1.5339 2.4472 1.4607 3.2065 1.1064 2.1649 2.1437 2.6521 2.0489 2.0470
C5 2.5141 3.7087 2.8015 1.5339 1.4082 2.4558 4.3769 2.1500 1.1111 1.1022 1.9087 3.3482 2.7238
O6 2.9395 4.2015 2.8393 2.4472 1.4082 3.7093 4.7029 2.6659 2.0980 2.0355 0.9642 4.4734 4.0386
N7 2.5040 2.8469 3.5003 1.4607 2.4558 3.7093 3.7378 2.0889 2.7054 2.6430 3.9795 1.0194 1.0213
H8 1.8662 0.9687 2.2829 3.2065 4.3769 4.7029 3.7378 3.5252 4.5552 5.2787 4.2196 3.4749 3.8247
H9 2.1314 2.6640 3.0825 1.1064 2.1500 2.6659 2.0889 3.5252 3.0682 2.4625 3.0192 2.3600 2.9442
H10 2.7866 4.0001 2.8243 2.1649 1.1111 2.0980 2.7054 4.5552 3.0682 1.7869 2.2681 3.6592 2.5404
H11 3.4549 4.5088 3.8864 2.1437 1.1022 2.0355 2.6430 5.2787 2.4625 1.7869 2.8120 3.5622 3.0394
H12 2.6048 3.8977 2.1486 2.6521 1.9087 0.9642 3.9795 4.2196 3.0192 2.2681 2.8120 4.6723 4.1717
H13 2.7333 2.5664 3.8706 2.0489 3.3482 4.4734 1.0194 3.4749 2.3600 3.6592 3.5622 4.6723 1.6381
H14 2.6919 3.0845 3.4741 2.0470 2.7238 4.0386 1.0213 3.8247 2.9442 2.5404 3.0394 4.1717 1.6381
Maximum atom distance is 5.2787Å 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 110.165 C1 C4 N7 113.562
O2 C1 O3 123.224 O2 C1 C4 111.235
O3 C1 C4 125.518 C4 C5 O6 112.490
C5 C4 N7 110.162
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 106.260 C1 C4 H9 106.652
C4 C5 H10 108.810 C4 C5 H11 107.696
C4 N7 H13 110.129 C4 N7 H14 109.858
C5 C4 H9 107.943 C5 O6 H12 105.602
O6 C5 H10 112.227 O6 C5 H11 107.731
N7 C4 H9 108.129 H10 C5 H11 107.672
H13 N7 H14 106.779

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