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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

mPW1PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6735 -0.0640 0.0000   -1.5313 0.0000 0.6780
S2 0.1068 -0.1327 0.0000   0.0376 0.0000 -0.1662
N3 0.5330 1.4903 0.0000   1.1337 0.0000 1.1044
O4 0.5330 -0.6985 1.2754   0.1718 1.2754 -0.8616
O5 0.5330 -0.6985 -1.2754   0.1718 -1.2754 -0.8616
H6 -2.0275 -1.0950 0.0000   -2.3025 0.0000 -0.0925
H7 -2.0036 0.4554 0.8983   -1.5996 0.8983 1.2896
H8 -2.0036 0.4554 -0.8983   -1.5996 -0.8983 1.2896
H9 1.0540 1.7177 0.8394   1.7016 0.8394 1.0797
H10 1.0540 1.7177 -0.8394   1.7016 -0.8394 1.0797
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7817 2.6989 2.6263 2.6263 1.0901 1.0889 1.0889 3.3642 3.3642
S2 1.7817 1.6780 1.4588 1.4588 2.3413 2.3679 2.3679 2.2418 2.2418
N3 2.6989 1.6780 2.5332 2.5332 3.6386 2.8830 2.8830 1.0138 1.0138
O4 2.6263 1.4588 2.5332 2.5508 2.8879 2.8120 3.5342 2.5098 3.2529
O5 2.6263 1.4588 2.5332 2.5508 2.8879 3.5342 2.8120 3.2529 2.5098
H6 1.0901 2.3413 3.6386 2.8879 2.8879 1.7920 1.7920 4.2558 4.2558
H7 1.0889 2.3679 2.8830 2.8120 3.5342 1.7920 1.7966 3.3084 3.7365
H8 1.0889 2.3679 2.8830 3.5342 2.8120 1.7920 1.7966 3.7365 3.3084
H9 3.3642 2.2418 1.0138 2.5098 3.2529 4.2558 3.3084 3.7365 1.6788
H10 3.3642 2.2418 1.0138 3.2529 2.5098 4.2558 3.7365 3.3084 1.6788
Maximum atom distance is 4.2558Å 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 102.498 C1 S2 O4 107.869
C1 S2 O5 107.869 N3 S2 O4 107.512
N3 S2 O5 107.512 O4 S2 O5 121.912
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.740 S2 C1 H7 108.744
S2 C1 H8 108.744 S2 N3 H9 110.333
S2 N3 H10 110.333 H6 C1 H7 110.649
H6 C1 H8 110.649 H7 C1 H8 111.175
H9 N3 H10 111.783

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