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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

QCISD(T)/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6690 -0.0516 0.0000   -1.5340 0.0000 0.6596
S2 0.1078 -0.1344 0.0000   0.0408 0.0000 -0.1674
N3 0.5285 1.4884 0.0000   1.1088 0.0000 1.1249
O4 0.5285 -0.6989 1.2668   0.1830 1.2668 -0.8569
O5 0.5285 -0.6989 -1.2668   0.1830 -1.2668 -0.8569
H6 -2.0261 -1.0809 0.0000   -2.2932 0.0000 -0.1218
H7 -1.9910 0.4701 0.8984   -1.6049 0.8984 1.2686
H8 -1.9910 0.4701 -0.8984   -1.6049 -0.8984 1.2686
H9 1.0709 1.6826 0.8336   1.6824 0.8336 1.0712
H10 1.0709 1.6826 -0.8336   1.6824 -0.8336 1.0712
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7787 2.6834 2.6177 2.6177 1.0895 1.0877 1.0877 3.3480 3.3480
S2 1.7787 1.6765 1.4493 1.4493 2.3344 2.3616 2.3616 2.2190 2.2190
N3 2.6834 1.6765 2.5277 2.5277 3.6232 2.8621 2.8621 1.0133 1.0133
O4 2.6177 1.4493 2.5277 2.5336 2.8769 2.8018 3.5217 2.4806 3.2214
O5 2.6177 1.4493 2.5277 2.5336 2.8769 3.5217 2.8018 3.2214 2.4806
H6 1.0895 2.3344 3.6232 2.8769 2.8769 1.7928 1.7928 4.2336 4.2336
H7 1.0877 2.3616 2.8621 2.8018 3.5217 1.7928 1.7968 3.2938 3.7209
H8 1.0877 2.3616 2.8621 3.5217 2.8018 1.7928 1.7968 3.7209 3.2938
H9 3.3480 2.2190 1.0133 2.4806 3.2214 4.2336 3.2938 3.7209 1.6672
H10 3.3480 2.2190 1.0133 3.2214 2.4806 4.2336 3.7209 3.2938 1.6672
Maximum atom distance is 4.2336Å 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 101.865 C1 S2 O4 107.945
C1 S2 O5 107.945 N3 S2 O4 107.709
N3 S2 O5 107.709 O4 S2 O5 121.875
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.467 S2 C1 H7 108.545
S2 C1 H8 108.545 S2 N3 H9 108.649
S2 N3 H10 108.649 H6 C1 H7 110.863
H6 C1 H8 110.863 H7 C1 H8 111.378
H9 N3 H10 110.706

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