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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

HSEh1PBE/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7109 -0.5811 0.0032   -0.7097 0.5823 0.0153
O2 2.0272 -0.4642 -0.3264   -2.0287 0.4716 -0.3058
O3 0.2263 -1.5789 0.5246   -0.2195 1.5730 0.5447
C4 -0.0436 0.6953 -0.3247   0.0399 -0.6915 -0.3331
C5 -1.4665 0.5369 0.1924   1.4669 -0.5417 0.1752
O6 -2.0985 -0.6121 -0.3770   2.0968 0.6128 -0.3853
N7 0.5777 1.9077 0.2155   -0.5796 -1.9091 0.1974
H8 2.5240 -1.2899 -0.1026   -2.5224 1.2955 -0.0687
H9 -0.0787 0.7773 -1.4171   0.0668 -0.7607 -1.4267
H10 -1.4209 0.4998 1.2940   1.4295 -0.5175 1.2775
H11 -2.0247 1.4305 -0.0915   2.0214 -1.4329 -0.1233
H12 -1.6483 -1.4094 -0.0115   1.6507 1.4066 -0.0072
H13 1.4870 2.0990 -0.2097   -1.4924 -2.0938 -0.2233
H14 0.6727 1.8741 1.2339   -0.6670 -1.8872 1.2168
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3620 1.2256 1.5185 2.4549 2.8352 2.5014 1.9497 2.1181 2.7164 3.3969 2.5004 2.7983 2.7466
O2 1.3620 2.2825 2.3734 3.6711 4.1287 2.8321 0.9893 2.6770 3.9300 4.4792 3.8081 2.6221 3.1203
O3 1.2256 2.2825 2.4425 2.7299 2.6744 3.5179 2.3992 3.0684 2.7616 3.8083 1.9571 3.9567 3.5532
C4 1.5185 2.3734 2.4425 1.5222 2.4361 1.4656 3.2532 1.0961 2.1343 2.1260 2.6651 2.0800 2.0813
C5 2.4549 3.6711 2.7299 1.5222 1.4296 2.4614 4.3987 2.1388 1.1032 1.0912 1.9654 3.3653 2.7293
O6 2.8352 4.1287 2.6744 2.4361 1.4296 3.7233 4.6801 2.6630 2.1185 2.0638 0.9860 4.4982 4.0566
N7 2.5014 2.8321 3.5179 1.4656 2.4614 3.7233 3.7569 2.0915 2.6720 2.6636 4.0013 1.0219 1.0233
H8 1.9497 0.9893 2.3992 3.2532 4.3987 4.6801 3.7569 3.5744 4.5515 5.3002 4.1750 3.5457 3.9018
H9 2.1181 2.6770 3.0684 1.0961 2.1388 2.6630 2.0915 3.5744 3.0379 2.4435 3.0366 2.3783 2.9657
H10 2.7164 3.9300 2.7616 2.1343 1.1032 2.1185 2.6720 4.5515 3.0379 1.7749 2.3241 3.6434 2.5051
H11 3.3969 4.4792 3.8083 2.1260 1.0912 2.0638 2.6636 5.3002 2.4435 1.7749 2.8659 3.5768 3.0380
H12 2.5004 3.8081 1.9571 2.6651 1.9654 0.9860 4.0013 4.1750 3.0366 2.3241 2.8659 4.7094 4.2094
H13 2.7983 2.6221 3.9567 2.0800 3.3653 4.4982 1.0219 3.5457 2.3783 3.6434 3.5768 4.7094 1.6726
H14 2.7466 3.1203 3.5532 2.0813 2.7293 4.0566 1.0233 3.9018 2.9657 2.5051 3.0380 4.2094 1.6726
Maximum atom distance is 5.3002Å 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 107.675 C1 C4 N7 113.898
O2 C1 O3 123.701 O2 C1 C4 110.845
O3 C1 C4 125.431 C4 C5 O6 111.197
C5 C4 N7 110.927
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 111.041 C1 C4 H9 107.100
C4 C5 H10 107.705 C4 C5 H11 107.733
C4 N7 H13 112.252 C4 N7 H14 112.270
C5 C4 H9 108.447 C5 O6 H12 107.482
O6 C5 H10 112.893 O6 C5 H11 109.167
N7 C4 H9 108.606 H10 C5 H11 107.966
H13 N7 H14 109.736

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