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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

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.6588 -0.0790 0.0000   -1.5310 0.0000 0.6432
S2 0.1066 -0.1259 0.0000   0.0420 0.0000 -0.1595
N3 0.5300 1.4623 0.0000   1.1083 0.0000 1.0913
O4 0.5300 -0.6834 1.2395   0.1839 1.2395 -0.8451
O5 0.5300 -0.6834 -1.2395   0.1839 -1.2395 -0.8451
H6 -1.9994 -1.1057 0.0000   -2.2807 0.0000 -0.1365
H7 -1.9935 0.4311 0.8914   -1.6133 0.8914 1.2478
H8 -1.9935 0.4311 -0.8914   -1.6133 -0.8914 1.2478
H9 1.0213 1.7153 0.8321   1.6606 0.8321 1.1080
H10 1.0213 1.7153 -0.8321   1.6606 -0.8321 1.1080
Atom - Atom Distances (Å)
  C1 S2 N3 O4 O5 H6 H7 H8 H9 H10
C1 1.7660 2.6770 2.5870 2.5870 1.0817 1.0802 1.0802 3.3308 3.3308
S2 1.7660 1.6436 1.4236 1.4236 2.3227 2.3484 2.3484 2.2179 2.2179
N3 2.6770 1.6436 2.4780 2.4780 3.6045 2.8681 2.8681 0.9988 0.9988
O4 2.5870 1.4236 2.4780 2.4790 2.8483 2.7806 3.4859 2.4822 3.2073
O5 2.5870 1.4236 2.4780 2.4790 2.8483 3.4859 2.7806 3.2073 2.4822
H6 1.0817 2.3227 3.6045 2.8483 2.8483 1.7766 1.7766 4.2160 4.2160
H7 1.0802 2.3484 2.8681 2.7806 3.4859 1.7766 1.7828 3.2774 3.7025
H8 1.0802 2.3484 2.8681 3.4859 2.7806 1.7766 1.7828 3.7025 3.2774
H9 3.3308 2.2179 0.9988 2.4822 3.2073 4.2160 3.2774 3.7025 1.6642
H10 3.3308 2.2179 0.9988 3.2073 2.4822 4.2160 3.7025 3.2774 1.6642
Maximum atom distance is 4.2160Å 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 103.410 C1 S2 O4 107.924
C1 S2 O5 107.924 N3 S2 O4 107.566
N3 S2 O5 107.566 O4 S2 O5 121.079
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 C1 H6 106.835 S2 C1 H7 108.801
S2 C1 H8 108.801 S2 N3 H9 111.806
S2 N3 H10 111.806 H6 C1 H7 110.526
H6 C1 H8 110.526 H7 C1 H8 111.219
H9 N3 H10 112.829

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