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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

TPSSh/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7732 -0.5495 -0.0039   0.7730 -0.5495 -0.0173
O2 2.0612 -0.3558 -0.3546   2.0583 -0.3513 -0.3755
O3 0.3888 -1.5613 0.5423   0.3927 -1.5684 0.5184
C4 -0.0853 0.6798 -0.3134   -0.0876 0.6839 -0.3037
C5 -1.5150 0.4519 0.1910   -1.5133 0.4494 0.2089
O6 -2.1098 -0.6924 -0.3802   -2.1129 -0.6870 -0.3727
N7 0.4501 1.9294 0.2264   0.4522 1.9262 0.2484
H8 2.5570 -1.1544 -0.1148   2.5557 -1.1531 -0.1502
H9 -0.1244 0.7725 -1.4040   -0.1353 0.7911 -1.3926
H10 -1.5052 0.3946 1.2901   -1.4949 0.3776 1.3071
H11 -2.1153 1.3157 -0.0955   -2.1157 1.3171 -0.0614
H12 -1.6521 -1.4588 -0.0110   -1.6525 -1.4584 -0.0173
H13 1.3522 2.1446 -0.1835   1.3511 2.1467 -0.1657
H14 0.5787 1.8624 1.2317   0.5887 1.8458 1.2517
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3489 1.2123 1.5310 2.5053 2.9109 2.5105 1.8868 2.1245 2.7852 3.4396 2.5902 2.7615 2.7169
O2 1.3489 2.2482 2.3836 3.7066 4.1846 2.8558 0.9701 2.6742 3.9985 4.5061 3.8889 2.6046 3.1039
O3 1.2123 2.2482 2.4453 2.7929 2.8016 3.5055 2.3018 3.0819 2.8235 3.8671 2.1170 3.8973 3.4975
C4 1.5310 2.3836 2.4453 1.5331 2.4466 1.4627 3.2227 1.0953 2.1608 2.1384 2.6684 2.0564 2.0558
C5 2.5053 3.7066 2.7929 1.5331 1.4105 2.4588 4.3880 2.1403 1.1006 1.0903 1.9262 3.3506 2.7305
O6 2.9109 4.1846 2.8016 2.4466 1.4105 3.7141 4.6971 2.6713 2.0826 2.0282 0.9660 4.4802 4.0438
N7 2.5105 2.8558 3.5055 1.4627 2.4588 3.7141 3.7504 2.0801 2.7038 2.6574 3.9945 1.0140 1.0157
H8 1.8868 0.9701 2.3018 3.2227 4.3880 4.6971 3.7504 3.5447 4.5689 5.2851 4.2214 3.5128 3.8507
H9 2.1245 2.6742 3.0819 1.0953 2.1403 2.6713 2.0801 3.5447 3.0509 2.4436 3.0419 2.3564 2.9375
H10 2.7852 3.9985 2.8235 2.1608 1.1006 2.0826 2.7038 4.5689 3.0509 1.7722 2.2693 3.6605 2.5496
H11 3.4396 4.5061 3.8671 2.1384 1.0903 2.0282 2.6574 5.2851 2.4436 1.7722 2.8142 3.5663 3.0525
H12 2.5902 3.8889 2.1170 2.6684 1.9262 0.9660 3.9945 4.2214 3.0419 2.2693 2.8142 4.6948 4.1894
H13 2.7615 2.6046 3.8973 2.0564 3.3506 4.4802 1.0140 3.5128 2.3564 3.6605 3.5663 4.6948 1.6373
H14 2.7169 3.1039 3.4975 2.0558 2.7305 4.0438 1.0157 3.8507 2.9375 2.5496 3.0525 4.1894 1.6373
Maximum atom distance is 5.2851Å 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 109.694 C1 C4 N7 113.962
O2 C1 O3 122.666 O2 C1 C4 111.566
O3 C1 C4 125.688 C4 C5 O6 112.374
C5 C4 N7 110.300
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 107.790 C1 C4 H9 106.812
C4 C5 H10 109.149 C4 C5 H11 108.011
C4 N7 H13 110.963 C4 N7 H14 110.806
C5 C4 H9 107.873 C5 O6 H12 106.803
O6 C5 H10 111.468 O6 C5 H11 107.705
N7 C4 H9 107.956 H10 C5 H11 107.971
H13 N7 H14 107.549

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