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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

BLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6990 -0.0436 0.0000   -1.5625 0.0000 0.6687
S2 0.1147 -0.1437 0.0000   0.0443 0.0000 -0.1784
N3 0.5338 1.5201 0.0000   1.1189 0.0000 1.1591
O4 0.5338 -0.7105 1.2810   0.1889 1.2810 -0.8683
O5 0.5338 -0.7105 -1.2810   0.1889 -1.2810 -0.8683
H6 -2.0690 -1.0772 0.0000   -2.3297 0.0000 -0.1165
H7 -2.0222 0.4850 0.9047   -1.6358 0.9047 1.2839
H8 -2.0222 0.4850 -0.9047   -1.6358 -0.9047 1.2839
H9 1.0979 1.6979 0.8365   1.7058 0.8365 1.0856
H10 1.0979 1.6979 -0.8365   1.7058 -0.8365 1.0856
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.8165 2.7259 2.6591 2.6591 1.0978 1.0965 1.0965 3.3993 3.3993
S2 1.8165 1.7158 1.4621 1.4621 2.3749 2.4041 2.4041 2.2490 2.2490
N3 2.7259 1.7158 2.5723 2.5723 3.6770 2.9022 2.9022 1.0245 1.0245
O4 2.6591 1.4621 2.5723 2.5620 2.9240 2.8467 3.5692 2.5132 3.2562
O5 2.6591 1.4621 2.5723 2.5620 2.9240 3.5692 2.8467 3.2562 2.5132
H6 1.0978 2.3749 3.6770 2.9240 2.9240 1.8058 1.8058 4.2931 4.2931
H7 1.0965 2.4041 2.9022 2.8467 3.5692 1.8058 1.8093 3.3482 3.7733
H8 1.0965 2.4041 2.9022 3.5692 2.8467 1.8058 1.8093 3.7733 3.3482
H9 3.3993 2.2490 1.0245 2.5132 3.2562 4.2931 3.3482 3.7733 1.6730
H10 3.3993 2.2490 1.0245 3.2562 2.5132 4.2931 3.7733 3.3482 1.6730
Maximum atom distance is 4.2931Å 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 100.979 C1 S2 O4 107.910
C1 S2 O5 107.910 N3 S2 O4 107.813
N3 S2 O5 107.813 O4 S2 O5 122.355
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.540 S2 C1 H7 108.712
S2 C1 H8 108.712 S2 N3 H9 107.627
S2 N3 H10 107.627 H6 C1 H7 110.767
H6 C1 H8 110.767 H7 C1 H8 111.190
H9 N3 H10 109.471

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