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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

PBEPBE/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8005 -0.5372 0.0119   0.8007 -0.5370 -0.0017
O2 2.0821 -0.3288 -0.3838   2.0791 -0.3229 -0.4046
O3 0.4370 -1.5619 0.5704   0.4418 -1.5693 0.5457
C4 -0.0940 0.6740 -0.3066   -0.0966 0.6780 -0.2967
C5 -1.5299 0.4252 0.1902   -1.5284 0.4221 0.2080
O6 -2.1312 -0.7161 -0.3962   -2.1341 -0.7114 -0.3891
N7 0.4093 1.9419 0.2318   0.4107 1.9387 0.2549
H8 2.5955 -1.1273 -0.1520   2.5944 -1.1243 -0.1877
H9 -0.1292 0.7603 -1.4104   -0.1404 0.7793 -1.3989
H10 -1.5223 0.3619 1.3006   -1.5120 0.3438 1.3174
H11 -2.1383 1.3019 -0.0917   -2.1392 1.3024 -0.0572
H12 -1.6742 -1.4973 -0.0381   -1.6741 -1.4971 -0.0453
H13 1.3121 2.1943 -0.1747   1.3102 2.1969 -0.1553
H14 0.5277 1.8952 1.2477   0.5371 1.8782 1.2691
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3575 1.2223 1.5390 2.5276 2.9653 2.5193 1.8966 2.1379 2.8043 3.4683 2.6548 2.7852 2.7419
O2 1.3575 2.2666 2.3973 3.7343 4.2311 2.8867 0.9772 2.6701 4.0381 4.5339 3.9490 2.6462 3.1661
O3 1.2223 2.2666 2.4597 2.8216 2.8714 3.5202 2.3172 3.1043 2.8413 3.9079 2.1981 3.9281 3.5239
C4 1.5390 2.3973 2.4597 1.5396 2.4679 1.4666 3.2407 1.1077 2.1726 2.1493 2.6987 2.0751 2.0721
C5 2.5276 3.7343 2.8216 1.5396 1.4171 2.4622 4.4211 2.1532 1.1122 1.1037 1.9413 3.3675 2.7409
O6 2.9653 4.2311 2.8714 2.4679 1.4171 3.7301 4.7508 2.6864 2.1005 2.0409 0.9732 4.5140 4.0732
N7 2.5193 2.8867 3.5202 1.4666 2.4622 3.7301 3.7877 2.0936 2.7146 2.6466 4.0300 1.0218 1.0238
H8 1.8966 0.9772 2.3172 3.2407 4.4211 4.7508 3.7877 3.5455 4.6134 5.3210 4.2872 3.5610 3.9205
H9 2.1379 2.6701 3.1043 1.1077 2.1532 2.6864 2.0936 3.5455 3.0739 2.4636 3.0605 2.3792 2.9639
H10 2.8043 4.0381 2.8413 2.1726 1.1122 2.1005 2.7146 4.6134 3.0739 1.7893 2.2961 3.6834 2.5605
H11 3.4683 4.5339 3.9079 2.1493 1.1037 2.0409 2.6466 5.3210 2.4636 1.7893 2.8379 3.5649 3.0420
H12 2.6548 3.9490 2.1981 2.6987 1.9413 0.9732 4.0300 4.2872 3.0605 2.2961 2.8379 4.7502 4.2438
H13 2.7852 2.6462 3.9281 2.0751 3.3675 4.5140 1.0218 3.5610 2.3792 3.6834 3.5649 4.7502 1.6517
H14 2.7419 3.1661 3.5239 2.0721 2.7409 4.0732 1.0238 3.9205 2.9639 2.5605 3.0420 4.2438 1.6517
Maximum atom distance is 5.3210Å 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 110.373 C1 C4 N7 113.886
O2 C1 O3 122.866 O2 C1 C4 111.569
O3 C1 C4 125.555 C4 C5 O6 113.099
C5 C4 N7 109.954
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 107.538 C1 C4 H9 106.618
C4 C5 H10 108.963 C4 C5 H11 107.657
C4 N7 H13 111.760 C4 N7 H14 111.380
C5 C4 H9 107.733 C5 O6 H12 107.154
O6 C5 H10 111.731 O6 C5 H11 107.468
N7 C4 H9 108.019 H10 C5 H11 107.694
H13 N7 H14 107.688

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