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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/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7972 -0.5327 0.0182   -0.7968 0.5327 0.0312
O2 2.0689 -0.3297 -0.3854   -2.0717 0.3355 -0.3651
O3 0.4330 -1.5505 0.5721   -0.4277 1.5433 0.5952
C4 -0.0932 0.6677 -0.3059   0.0905 -0.6637 -0.3151
C5 -1.5202 0.4267 0.1901   1.5214 -0.4298 0.1727
O6 -2.1172 -0.7120 -0.3972   2.1145 0.7160 -0.4046
N7 0.4082 1.9298 0.2306   -0.4075 -1.9324 0.2091
H8 2.5846 -1.1174 -0.1625   -2.5851 1.1205 -0.1281
H9 -0.1252 0.7484 -1.3962   0.1139 -0.7305 -1.4066
H10 -1.5190 0.3657 1.2855   1.5288 -0.3828 1.2689
H11 -2.1169 1.2912 -0.0952   2.1154 -1.2909 -0.1282
H12 -1.6847 -1.4946 -0.0386   1.6852 1.4942 -0.0326
H13 1.3025 2.1775 -0.1740   -1.3050 -2.1745 -0.1917
H14 0.5207 1.8875 1.2376   -0.5121 -1.9029 1.2174
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3496 1.2147 1.5293 2.5141 2.9493 2.5020 1.8892 2.1195 2.7889 3.4397 2.6624 2.7636 2.7241
O2 1.3496 2.2547 2.3824 3.7129 4.2036 2.8710 0.9675 2.6454 4.0186 4.4981 3.9455 2.6302 3.1539
O3 1.2147 2.2547 2.4429 2.8054 2.8542 3.4971 2.3144 3.0774 2.8269 3.8759 2.2047 3.9001 3.5029
C4 1.5293 2.3824 2.4429 1.5298 2.4512 1.4603 3.2214 1.0938 2.1579 2.1280 2.6980 2.0604 2.0609
C5 2.5141 3.7129 2.8054 1.5298 1.4135 2.4454 4.3997 2.1368 1.0972 1.0885 1.9418 3.3415 2.7197
O6 2.9493 4.2036 2.8542 2.4512 1.4135 3.7083 4.7250 2.6644 2.0859 2.0258 0.9634 4.4826 4.0483
N7 2.5020 2.8710 3.4971 1.4603 2.4454 3.7083 3.7651 2.0801 2.6970 2.6250 4.0224 1.0123 1.0141
H8 1.8892 0.9675 2.3144 3.2214 4.3997 4.7250 3.7651 3.5136 4.5974 5.2830 4.2877 3.5355 3.9050
H9 2.1195 2.6454 3.0774 1.0938 2.1368 2.6644 2.0801 3.5136 3.0465 2.4402 3.0506 2.3610 2.9414
H10 2.7889 4.0186 2.8269 2.1579 1.0972 2.0859 2.6970 4.5974 3.0465 1.7665 2.2894 3.6570 2.5453
H11 3.4397 4.4981 3.8759 2.1280 1.0885 2.0258 2.6250 5.2830 2.4402 1.7665 2.8197 3.5333 3.0148
H12 2.6624 3.9455 2.2047 2.6980 1.9418 0.9634 4.0224 4.2877 3.0506 2.2894 2.8197 4.7356 4.2345
H13 2.7636 2.6302 3.9001 2.0604 3.3415 4.4826 1.0123 3.5355 2.3610 3.6570 3.5333 4.7356 1.6395
H14 2.7241 3.1539 3.5029 2.0609 2.7197 4.0483 1.0141 3.9050 2.9414 2.5453 3.0148 4.2345 1.6395
Maximum atom distance is 5.2830Å 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 110.538 C1 C4 N7 113.617
O2 C1 O3 123.021 O2 C1 C4 111.547
O3 C1 C4 125.432 C4 C5 O6 112.716
C5 C4 N7 109.718
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 108.112 C1 C4 H9 106.627
C4 C5 H10 109.353 C4 C5 H11 107.535
C4 N7 H13 111.594 C4 N7 H14 111.516
C5 C4 H9 107.911 C5 O6 H12 108.066
O6 C5 H10 111.749 O6 C5 H11 107.421
N7 C4 H9 108.207 H10 C5 H11 107.845
H13 N7 H14 108.008

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