Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-Butyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

ABSTRACT: The title compound, C(14)H(18)N(2)O(4)S, contains hydrogen-bonded dimeric pairs of mol-ecules arranged around inversion centers, forming 14-membered rings with an R(2) (2)(14) motif. The structure is stabilized by extensive intra-molecular inter-actions. The thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by -0.485?(3) and 0.296?(3)?Å, respectively, from the plane formed by the remaining atoms of the ring.

SUBMITTER: Ahmad M

PROVIDER: S-EPMC2961640 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-Butyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

Ahmad Matloob M Siddiqui Hamid Latif HL Ahmad Saeed S Farooq Syed Umar SU Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

The title compound, C(14)H(18)N(2)O(4)S, contains hydrogen-bonded dimeric pairs of mol-ecules arranged around inversion centers, forming 14-membered rings with an R(2) (2)(14) motif. The structure is stabilized by extensive intra-molecular inter-actions. The thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by -0.485 (3) and 0.296 (3) Å, respectively, from the plane formed by the remaining atoms of the ring. ...[more]

PMID: 21202852

Similar Datasets

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

Project description:In the title compound, C(15)H(11)ClN(2)O(4)S, there are two independent mol-ecules in the asymmetric unit, in which the heterocyclic thia-zine rings in both mol-ecules adopt half-chair conformations. The conformations about the C-C and C-N bonds in the central C-C-N-C chain in both mol-ecules are all EZ. There are strong intra-molecular O-H⋯O and N-H⋯N hydrogen bonds resulting in graph-set patterns S(6) and S(5) for the oxo and amino rings, in addition to intra-molecular N-H⋯Cl inter-actions. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds into chains along [100].

| S-EPMC2969961 | biostudies-literature

Methyl 4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:The asymmetric unit of the title compound, C(10)H(9)NO(5)S, contains two independent mol-ecules. The heterocyclic thia-zine rings in both mol-ecules adopt half-chair conformations, with the S atoms in each mol-ecule displaced by 0.455?(3) and 0.539?(3)?Å and the N atoms displaced in the opposite direction by 0.214?(3) and 0.203?(3)?Å, from the planes defined by the remaining ring atoms. The crystal structure is stabilized by O-H?O, N-H?O and C-H?O hydrogen bonds involving both inter- and intra-molecular inter-actions.

| S-EPMC2959412 | biostudies-literature

3-Benzoyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title mol-ecule, C(16)H(13)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.410 (3) and 0.299 (3) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The crystal structure is stabilized by inter-molecular hydrogen bonds of the types O-H⋯O and C-H⋯O; the former result in dimers lying about inversion centers and the latter form chains of mol-ecules running along the c axis. In addition, intra-molecular O-H⋯O links are present.

| S-EPMC2983979 | biostudies-literature

N-(2,3-Dimethyl-phen-yl)-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

Project description:In the crystal structure of the title compound, C(18)H(18)N(2)O(4)S, the thia-zine ring adopts a distorted half-chair conformation. 1,2-Benzothia-zines of this kind have a wide range of biological activities and are mainly used as medicines in the treatment of inflammation and rheumatoid arthritis. The enolic H atom is involved in an intra-molecular O-H?O hydrogen bond, forming a six-membered ring. The mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular N-H?O hydrogen bonds. A weak inter-molcular C-H?O inter-action is also present.

| S-EPMC2968491 | biostudies-literature

N-(3,4-Dimethyl-phen-yl)-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

Project description:1,2-Benzothia-zines similar to the title compound, C(18)H(18)N(2)O(4)S, are well known in the literature for their biological activities and are used as medicines in the treatment of inflammation and rheumatoid arthritis. The thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H⋯O hydrogen bond, forming a six-membered ring. In the crystal, mol-ecules arrange themselves into centrosymmetric dimers by means of pairs of weak inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2968962 | biostudies-literature

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.

| S-EPMC2984067 | biostudies-literature

Methyl 4-hydr-oxy-2-propyl-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(15)NO(5)S, the thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H?O hydrogen bond, forming a six-membered ring. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds, resulting in zigzag chains lying along the c axis.

| S-EPMC2972157 | biostudies-literature

Methyl 2-acetonyl-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the mol-ecule of the title compound, C(13)H(13)NO(6)S, the thia-zine ring adopts a distorted sofa conformation. The enolic H atom is involved in intra-molecular O-H?O hydrogen bonding besides the weaker C-H?O=S and C-H?O=C inter-actions.

| S-EPMC2962253 | biostudies-literature

Methyl 2-allyl-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(13)NO(5)S, the thia-zine ring adopts a distorted half-chair conformation. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds give rise to two six-membered hydrogen bonded rings. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds, resulting in a zigzag chain lying along the c axis.

| S-EPMC2971956 | biostudies-literature

3-Benzoyl-4-hydr-oxy-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(15)H(11)NO(4)S. The heterocyclic thia-zine rings in both mol-ecules adopt half-chair conformations with the S and N atoms displaced by 0.455?(4) and 0.254?(4)?Å, respectively, in one mol-ecule, and 0.480?(4) and 0.224?(5)?Å in the other, on opposite sides of the mean planes formed by the remaining ring atoms. The crystal structure is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds. In addition, intra-molecular O-H?O inter-actions are also present.

| S-EPMC2983842 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data