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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

PBE1PBE/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7660 -0.5470 -0.0046   -0.7656 0.5475 0.0088
O2 2.0478 -0.3571 -0.3439   -2.0502 0.3629 -0.3228
O3 0.3764 -1.5559 0.5287   -0.3710 1.5489 0.5524
C4 -0.0830 0.6780 -0.3130   0.0800 -0.6738 -0.3227
C5 -1.5050 0.4553 0.1860   1.5061 -0.4587 0.1679
O6 -2.0934 -0.6870 -0.3713   2.0909 0.6906 -0.3787
N7 0.4539 1.9160 0.2239   -0.4534 -1.9185 0.2019
H8 2.5343 -1.1561 -0.1061   -2.5342 1.1589 -0.0706
H9 -0.1217 0.7666 -1.4047   0.1100 -0.7478 -1.4157
H10 -1.4960 0.4090 1.2856   1.5059 -0.4271 1.2681
H11 -2.1027 1.3197 -0.1069   2.1008 -1.3194 -0.1412
H12 -1.6368 -1.4451 0.0035   1.6378 1.4439 0.0098
H13 1.3550 2.1264 -0.1837   -1.3580 -2.1229 -0.2013
H14 0.5776 1.8500 1.2269   -0.5692 -1.8658 1.2067
Atom - Atom Distances (Å)
  C1 O2 O3 C4 C5 O6 N7 H8 H9 H10 H11 H12 H13 H14
C1 1.3395 1.2058 1.5220 2.4897 2.8863 2.4932 1.8730 2.1152 2.7741 3.4241 2.5651 2.7434 2.7014
O2 1.3395 2.2343 2.3691 3.6829 4.1544 2.8337 0.9652 2.6636 3.9750 4.4827 3.8575 2.5833 3.0822
O3 1.2058 2.2343 2.4310 2.7753 2.7685 3.4861 2.2846 3.0627 2.8177 3.8495 2.0834 3.8761 3.4825
C4 1.5220 2.3691 2.4310 1.5234 2.4307 1.4523 3.2026 1.0959 2.1505 2.1292 2.6499 2.0451 2.0449
C5 2.4897 3.6829 2.7753 1.5234 1.4006 2.4438 4.3587 2.1309 1.1007 1.0909 1.9137 3.3330 2.7140
O6 2.8863 4.1544 2.7685 2.4307 1.4006 3.6904 4.6590 2.6587 2.0745 2.0241 0.9611 4.4545 4.0156
N7 2.4932 2.8337 3.4861 1.4523 2.4438 3.6904 3.7249 2.0748 2.6833 2.6459 3.9644 1.0112 1.0128
H8 1.8730 0.9652 2.2846 3.2026 4.3587 4.6590 3.7249 3.5266 4.5420 5.2565 4.1825 3.4887 3.8265
H9 2.1152 2.6636 3.0627 1.0959 2.1309 2.6587 2.0748 3.5266 3.0421 2.4319 3.0282 2.3496 2.9305
H10 2.7741 3.9750 2.8177 2.1505 1.1007 2.0745 2.6833 4.5420 3.0421 1.7710 2.2586 3.6382 2.5258
H11 3.4241 4.4827 3.8495 2.1292 1.0909 2.0241 2.6459 5.2565 2.4319 1.7710 2.8059 3.5514 3.0404
H12 2.5651 3.8575 2.0834 2.6499 1.9137 0.9611 3.9644 4.1825 3.0282 2.2586 2.8059 4.6627 4.1542
H13 2.7434 2.5833 3.8761 2.0451 3.3330 4.4545 1.0112 3.4887 2.3496 3.6382 3.5514 4.6627 1.6342
H14 2.7014 3.0822 3.4825 2.0449 2.7140 4.0156 1.0128 3.8265 2.9305 2.5258 3.0404 4.1542 1.6342
Maximum atom distance is 5.2565Å 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 109.676 C1 C4 N7 113.889
O2 C1 O3 122.675 O2 C1 C4 111.614
O3 C1 C4 125.644 C4 C5 O6 112.396
C5 C4 N7 110.398
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H8 107.612 C1 C4 H9 106.657
C4 C5 H10 109.011 C4 C5 H11 107.918
C4 N7 H13 110.962 C4 N7 H14 110.837
C5 C4 H9 107.766 C5 O6 H12 106.772
O6 C5 H10 111.507 O6 C5 H11 108.015
N7 C4 H9 108.203 H10 C5 H11 107.824
H13 N7 H14 107.692

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