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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

PBEPBEultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6994 -0.0268 0.0000   -1.5420 0.0000 0.7147
S2 0.1089 -0.1448 0.0000   0.0351 0.0000 -0.1778
N3 0.5343 1.5418 0.0000   1.1516 0.0000 1.1561
O4 0.5343 -0.7246 1.3111   0.1662 1.3111 -0.8848
O5 0.5343 -0.7246 -1.3111   0.1662 -1.3111 -0.8848
H6 -2.0767 -1.0658 0.0000   -2.3335 0.0000 -0.0569
H7 -2.0132 0.5088 0.9133   -1.5918 0.9133 1.3335
H8 -2.0132 0.5088 -0.9133   -1.5918 -0.9133 1.3335
H9 1.1335 1.6633 0.8329   1.7440 0.8329 1.0050
H10 1.1335 1.6633 -0.8329   1.7440 -0.8329 1.0050
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.8121 2.7295 2.6824 2.6824 1.1054 1.1043 1.1043 3.4023 3.4023
S2 1.8121 1.7395 1.4953 1.4953 2.3717 2.4010 2.4010 2.2390 2.2390
N3 2.7295 1.7395 2.6183 2.6183 3.6902 2.8968 2.8968 1.0332 1.0332
O4 2.6824 1.4953 2.6183 2.6221 2.9416 2.8582 3.5998 2.5079 3.2646
O5 2.6824 1.4953 2.6183 2.6221 2.9416 3.5998 2.8582 3.2646 2.5079
H6 1.1054 2.3717 3.6902 2.9416 2.9416 1.8214 1.8214 4.2950 4.2950
H7 1.1043 2.4010 2.8968 2.8582 3.5998 1.8214 1.8266 3.3528 3.7794
H8 1.1043 2.4010 2.8968 3.5998 2.8582 1.8214 1.8266 3.7794 3.3528
H9 3.4023 2.2390 1.0332 2.5079 3.2646 4.2950 3.3528 3.7794 1.6658
H10 3.4023 2.2390 1.0332 3.2646 2.5079 4.2950 3.7794 3.3528 1.6658
Maximum atom distance is 4.2950Å 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 100.423 C1 S2 O4 108.010
C1 S2 O5 108.010 N3 S2 O4 107.838
N3 S2 O5 107.838 O4 S2 O5 122.511
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.226 S2 C1 H7 108.372
S2 C1 H8 108.372 S2 N3 H9 104.823
S2 N3 H10 104.823 H6 C1 H7 111.029
H6 C1 H8 111.029 H7 C1 H8 111.593
H9 N3 H10 107.441

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