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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

B2PLYP/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7792 -0.5464 0.0021   -0.7777 0.5483 0.0151
O2 2.0597 -0.3443 -0.3620   -2.0617 0.3538 -0.3411
O3 0.4009 -1.5589 0.5466   -0.3924 1.5531 0.5686
C4 -0.0879 0.6736 -0.3101   0.0836 -0.6700 -0.3189
C5 -1.5142 0.4444 0.1930   1.5146 -0.4504 0.1753
O6 -2.1141 -0.6919 -0.3841   2.1127 0.6912 -0.3929
N7 0.4418 1.9241 0.2257   -0.4449 -1.9256 0.2060
H8 2.5488 -1.1431 -0.1253   -2.5468 1.1508 -0.0908
H9 -0.1277 0.7576 -1.4003   0.1144 -0.7409 -1.4103
H10 -1.4972 0.3849 1.2902   1.5066 -0.4042 1.2733
H11 -2.1080 1.3143 -0.0859   2.1038 -1.3184 -0.1190
H12 -1.6515 -1.4523 -0.0220   1.6550 1.4484 -0.0179
H13 1.3427 2.1411 -0.1807   -1.3496 -2.1354 -0.1956
H14 0.5655 1.8602 1.2297   -0.5603 -1.8736 1.2117
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3465 1.2102 1.5289 2.5055 2.9225 2.5034 1.8719 2.1189 2.7764 3.4359 2.5941 2.7521 2.7101
O2 1.3465 2.2477 2.3771 3.7017 4.1883 2.8476 0.9661 2.6603 3.9891 4.4941 3.8880 2.5932 3.1026
O3 1.2102 2.2477 2.4406 2.7939 2.8183 3.4979 2.2887 3.0718 2.8167 3.8665 2.1324 3.8866 3.4905
C4 1.5289 2.3771 2.4406 1.5298 2.4445 1.4599 3.2073 1.0942 2.1519 2.1311 2.6547 2.0535 2.0508
C5 2.5055 3.7017 2.7939 1.5298 1.4086 2.4529 4.3737 2.1352 1.0989 1.0895 1.9138 3.3437 2.7211
O6 2.9225 4.1883 2.8183 2.4445 1.4086 3.7078 4.6918 2.6607 2.0841 2.0282 0.9609 4.4740 4.0370
N7 2.5034 2.8476 3.4979 1.4599 2.4529 3.7078 3.7377 2.0806 2.6948 2.6402 3.9804 1.0118 1.0136
H8 1.8719 0.9661 2.2887 3.2073 4.3737 4.6918 3.7377 3.5216 4.5507 5.2656 4.2130 3.4991 3.8457
H9 2.1189 2.6603 3.0718 1.0942 2.1352 2.6607 2.0806 3.5216 3.0419 2.4411 3.0175 2.3587 2.9348
H10 2.7764 3.9891 2.8167 2.1519 1.0989 2.0841 2.6948 4.5507 3.0419 1.7694 2.2630 3.6486 2.5366
H11 3.4359 4.4941 3.8665 2.1311 1.0895 2.0282 2.6402 5.2656 2.4411 1.7694 2.8047 3.5496 3.0292
H12 2.5941 3.8880 2.1324 2.6547 1.9138 0.9609 3.9804 4.2130 3.0175 2.2630 2.8047 4.6801 4.1779
H13 2.7521 2.5932 3.8866 2.0535 3.3437 4.4740 1.0118 3.4991 2.3587 3.6486 3.5496 4.6801 1.6347
H14 2.7101 3.1026 3.4905 2.0508 2.7211 4.0370 1.0136 3.8457 2.9348 2.5366 3.0292 4.1779 1.6347
Maximum atom distance is 5.2656Å 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 110.000 C1 C4 N7 113.754
O2 C1 O3 122.989 O2 C1 C4 111.364
O3 C1 C4 125.604 C4 C5 O6 112.531
C5 C4 N7 110.238
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 106.927 C1 C4 H9 106.580
C4 C5 H10 108.784 C4 C5 H11 107.717
C4 N7 H13 111.060 C4 N7 H14 110.723
C5 C4 H9 107.772 C5 O6 H12 106.201
O6 C5 H10 111.841 O6 C5 H11 107.881
N7 C4 H9 108.250 H10 C5 H11 107.898
H13 N7 H14 107.622

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