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2-(Prop-2-en-yl)-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

ABSTRACT: In the title compound, C(10)H(9)NO(3)S, the benzisothia-zole group is almost planar (with a maximum deviation of 1.61?Å). The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds, forming a chain of mol-ecules along b.

SUBMITTER: Arshad MN

PROVIDER: S-EPMC2969636 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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2-(Prop-2-en-yl)-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Arshad Muhammad Nadeem MN Mubashar-Ur-Rehman Hafiz H Zia-Ur-Rehman Muhammad M Khan Islam Ullah IU Shafiq Muhammad M

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the title compound, C(10)H(9)NO(3)S, the benzisothia-zole group is almost planar (with a maximum deviation of 1.61 Å). The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds, forming a chain of mol-ecules along b. ...[more]

PMID: 21583103

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2-[(E)-3-Phenyl-prop-2-en-yl]-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Project description:In the crystal structure of the title compound, C(16)H(13)NO(3)S, the benzisothia-zole group is almost planar (r.m.s. deviation for all non-H atoms excluding the two O atoms bonded to S = 0.009?Å). The dihedral angle between the fused ring and the terminal ring is 13.8?(1)°. In the crystal, mol-ecules are linked through inter-molecular C-H?O contacts forming a chain of mol-ecules along b.

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2-Methyl-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Project description:All atoms of the title mol-ecule, C(8)H(7)NO(3)S, except the two oxide O atoms and two H atoms of the methyl group, lie on a crystallographic mirror plane. The crystal structure is stabilized by weak inter- and intra-molecular C-H⋯O hydrogen bonds.

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2-[2-(3-Chloro-phen-yl)-2-oxoeth-yl]-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Project description:In the title compound, C(15)H(10)ClNO(4)S, the benzothia-zole ring system is essentially planar [maximum deviation = 0.0382?(13)?Å for the N atom] and forms a dihedral angle of 74.43?(6)° with the chloro-substituted benzene ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds form R(2) (2)(10) and R(2) (2)(16) ring motifs.

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2-[2-(3-Methoxy-phen-yl)-2-oxoeth-yl]-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Project description:In the title compound, C(16)H(13)NO(5)S, the benzothia-zole unit is essentially planar [maximum deviation = 0.0501?(10)?Å for the S atom] and is oriented at a dihedral angle of 67.85?(5)° with respect to the meth-oxy-substituted benzene ring. The mean plane of the meth-oxy group is oriented at 14.3?(3)° with respect to the benzene ring to which it is attached. In the crystal structure, weak C-H?O hydrogen bonds form macrocyclic rings with R(2) (2)(10) and R(2) (2)(12) motifs.

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2-n-Butyl-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

Project description:The crystal packing of the title compound, C(11)H(13)NO(3)S, exhibits weak inter-molecular C-H?O hydrogen bonding, which links mol-ecules related by translation along the b axis into chains, and ?-? inter-actions [centroid-centroid distance of 3.778?(2)?Å between benzene rings].

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2-(3-Methyl-but-2-en-1-yl)-1,2-benziso-thia-zol-3(2H)-one 1,1-dioxide.

Project description:In the title compound, C(12)H(13)NO(3)S, a saccharin derivative, the dihedral angle between the aromatic and isothia-zole rings is 2.91?(12)°. The planar 3,3-dimethyl-allyl group [maximum deviation = 0.0086?(16)?Å] is oriented at dihedral angles of 71.86?(7) and 74.35?(7)° with respect to the aromatic and isothia-zole rings, respectively. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into chains along the c axis. A weak C-H?? inter-action is also present.

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2-[(Methyl-sulfan-yl)meth-yl]-1,2-benz-isothia-zol-3(2H)-one 1,1-dioxide.

Project description:In the title mol-ecule, C(9)H(9)NO(3)S(2), the essentially planar benzisothia-zole ring system and the C-S-C atoms of the methyl-sulfanyl side chain form an angle of 64.45?(7)°. The structure is devoid of any classical hydrogen bonding. However, weak non-classical inter- and intra-molecular hydrogen bonds of the type C-H?O are present.

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2-(2-Oxo-2-phenyl-ethyl)-1,2-benziso-thia-zol-3(2H)-one 1,1-dioxide.

Project description:In the title compound, C(15)H(11)NO(4)S, the benzothia-zole unit is essentially planar [maximum deviation = 0.0644?(14)?Å for the N atom] and forms a dihedral angle 54.43?(6)° with the phenyl ring. In the crystal structure, weak bifurcated C-H?O hydrogen bonds involving the carbonyl O atoms as acceptors result in R(2) (2)(7) ring motifs.

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3-(3-Chloro-benzo-yl)-4-hydr-oxy-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title compound, C(15)H(10)ClNO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.476?(5) and 0.227?(5)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The structure is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds. In addition, intra-molecular O-H?O and C-H?N inter-actions are also present.

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