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Geometry for CH3SO2NH2 (methanesulfonamide) 1A' CS

1910171554
InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4) INChIKey=HNQIVZYLYMDVSB-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6595 -0.0677 0.0000   1.4877 -0.7352 -0.0677
S2 0.1050 -0.1298 0.0000   -0.0941 0.0465 -0.1298
N3 0.5302 1.4755 0.0000   -0.4753 0.2349 1.4755
O4 0.5302 -0.6918 1.2611   -1.0341 -0.8957 -0.6918
O5 0.5302 -0.6918 -1.2611   0.0834 1.3655 -0.6918
H6 -2.0173 -1.0926 0.0000   1.8085 -0.8938 -1.0926
H7 -1.9946 0.4481 0.8926   1.3927 -1.6839 0.4481
H8 -1.9946 0.4481 -0.8926   2.1837 -0.0835 0.4481
H9 1.0448 1.7095 0.8360   -1.3071 -0.2866 1.7095
H10 1.0448 1.7095 -0.8360   -0.5663 1.2124 1.7095
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7656 2.6789 2.6028 2.6028 1.0855 1.0841 1.0841 3.3423 3.3423
S2 1.7656 1.6606 1.4447 1.4447 2.3305 2.3535 2.3535 2.2282 2.2282
N3 2.6789 1.6606 2.5074 2.5074 3.6173 2.8683 2.8683 1.0092 1.0092
O4 2.6028 1.4447 2.5074 2.5222 2.8707 2.7946 3.5089 2.4923 3.2293
O5 2.6028 1.4447 2.5074 2.5222 2.8707 3.5089 2.7946 3.2293 2.4923
H6 1.0855 2.3305 3.6173 2.8707 2.8707 1.7808 1.7808 4.2341 4.2341
H7 1.0841 2.3535 2.8683 2.7946 3.5089 1.7808 1.7852 3.2913 3.7171
H8 1.0841 2.3535 2.8683 3.5089 2.7946 1.7808 1.7852 3.7171 3.2913
H9 3.3423 2.2282 1.0092 2.4923 3.2293 4.2341 3.2913 3.7171 1.6720
H10 3.3423 2.2282 1.0092 3.2293 2.4923 4.2341 3.7171 3.2913 1.6720
Maximum atom distance is 4.2341Å between atoms H6 and H9.
picture of methanesulfonamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 S2 N3 102.824 C1 S2 O4 107.928
C1 S2 O5 107.928 N3 S2 O4 107.498
N3 S2 O5 107.498 O4 S2 O5 121.604
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 107.233 S2 C1 H7 109.007
S2 C1 H8 109.007 S2 N3 H9 110.777
S2 N3 H10 110.777 H6 C1 H7 110.328
H6 C1 H8 110.328 H7 C1 H8 110.849
H9 N3 H10 111.864

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