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Geometry for (Nitric acid, ethyl ester) 1A' C1

1910171554
InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3 INChIKey=IDNUEBSJWINEMI-UHFFFAOYSA-N

PBE1PBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 1.1004 -0.2948 0.0000   1.1391 0.0190 0.0000
O2 0.0000 0.5567 0.0000   -0.1530 0.5353 0.0000
O3 2.1408 0.2916 0.0000   1.9783 0.8686 0.0000
O4 0.8848 -1.4783 0.0000   1.2569 -1.1783 0.0000
C5 -1.2643 -0.1263 0.0000   -1.1809 -0.4688 0.0000
C6 -2.3158 0.9545 0.0000   -2.4889 0.2814 0.0000
H7 -1.3281 -0.7699 0.8909   -1.0654 -1.1052 0.8909
H8 -1.3281 -0.7699 -0.8909   -1.0654 -1.1052 -0.8909
H9 -3.3136 0.4921 0.0000   -3.3213 -0.4373 0.0000
H10 -2.2286 1.5910 0.8921   -2.5800 0.9174 0.8921
H11 -2.2286 1.5910 -0.8921   -2.5800 0.9174 -0.8921
Atom - Atom Distances (Å)
  N1 O2 O3 O4 C5 C6 H7 H8 H9 H10 H11
N1 1.3914 1.1942 1.2031 2.3707 3.6375 2.6300 2.6300 4.4837 3.9287 3.9287
O2 1.3914 2.1572 2.2191 1.4370 2.3497 2.0778 2.0778 3.3143 2.6139 2.6139
O3 1.1942 2.1572 2.1703 3.4306 4.5056 3.7354 3.7354 5.4581 4.6450 4.6450
O4 1.2031 2.2191 2.1703 2.5390 4.0202 2.4884 2.4884 4.6378 4.4621 4.4621
C5 2.3707 1.4370 3.4306 2.5390 1.5079 1.1009 1.1009 2.1406 2.1621 2.1621
C6 3.6375 2.3497 4.5056 4.0202 1.5079 2.1778 2.1778 1.0997 1.0994 1.0994
H7 2.6300 2.0778 3.7354 2.4884 1.1009 2.1778 1.7819 2.5157 2.5268 3.0926
H8 2.6300 2.0778 3.7354 2.4884 1.1009 2.1778 1.7819 2.5157 3.0926 2.5268
H9 4.4837 3.3143 5.4581 4.6378 2.1406 1.0997 2.5157 2.5157 1.7835 1.7835
H10 3.9287 2.6139 4.6450 4.4621 2.1621 1.0994 2.5268 3.0926 1.7835 1.7843
H11 3.9287 2.6139 4.6450 4.4621 2.1621 1.0994 3.0926 2.5268 1.7835 1.7843
Maximum atom distance is 5.4581Å between atoms O3 and H9.
picture of Nitric acid, ethyl ester
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 O2 C5 113.888 O2 N1 O3 112.863
O2 N1 O4 117.406 O2 C5 C6 105.835
O3 N1 O4 129.731
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C5 H7 109.197 O2 C5 H8 109.197
C5 C6 H9 109.354 C5 C6 H10 111.079
C5 C6 H11 111.079 C6 C5 H7 112.247
C6 C5 H8 112.247 H7 C5 H8 108.047
H9 C6 H10 108.384 H9 C6 H11 108.384
H10 C6 H11 108.480

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