2-(2-Oxo-2-phenylethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

被引：7

作者：

Ahmad, Matloob ^{[1
]}

Siddiqui, Hamid Latif ^{[1
]}

Azam, Muhammad ^{[2
]}

Bukhari, Iftikhar Hussain ^{[3
]}

Parvez, Masood ^{[4
]}

机构：

[1] Univ Punjab, Inst Chem, Lahore, Pakistan

[2] Univ Baluchistan, Inst Biochem, Quetta 8700, Pakistan

[3] Univ Sargodha, Dept Chem, Sargodha 10400, Pakistan

[4] Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷

关键词：

Data-to-parameter ratio = 15.9; Mean σ(C-C) = 0.003 Å; R factor = 0.045; Single-crystal X-ray study; T = 173 K; WR factor = 0.115;

D O I：

10.1107/S1600536810005404

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C15H11NO4S, the benzothiazole unit is essentially planar [maximum deviation = 0.0644 (14) angstrom for the N atom] and forms a dihedral angle 54.43 (6)degrees with the phenyl ring. In the crystal structure, weak bifurcated C-H center dot center dot center dot O hydrogen bonds involving the carbonyl O atoms as acceptors result in R-2(2)(7) ring motifs.

引用

页码：O616 / U5012

页数：10

共 14 条

[1] 1-(4-Hydroxy-2-methyl-1,1-dioxo-2H-1,2-benzothiazin-3-yl) ethanone [J].

Ahmad, Matloob ;

Siddiqui, Hamid Latif ;

Zia-ur-Rehman, Muhammad ;

Ashiq, Muhammad Irfan ;

Tizzard, Graham John .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 :O788-U1286

[2] N-Acetonylsaccharin [J].

Ahmad, Matloob ;

Siddiqui, Hamid Latif ;

Azam, Muhammad ;

Siddiqui, Waseeq Ahmad ;

Parvez, Masood .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :02185-U2288

[3] PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].

BERNSTEIN, J ;

DAVIS, RE ;

SHIMONI, L ;

CHANG, NL .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573

[4] Outlier treatment in data merging [J].

Blessing, RH .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1997, 30 :421-426

[5]

Farrugia L.J., 1997, J. Appl. Crystallogr., V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]

[6]

Hooft R. W. W., 1998, COLLECT

[7] Biochemical and pharmacological characterization of 2-(9-(2-piperidinoethoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yloxymethyl)-4-(1-methylethyl)-6-methoxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide (SSR69071), a novel, orally active elastase inhibitor [J].

Kapui, Z ;

Varga, M ;

Urban-Szabó, K ;

Mikus, E ;

Szabó, T ;

Szeredi, J ;

Bátori, S ;

Finance, O ;

Arányi, P .

JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS, 2003, 305 (02) :451-459

[8] Processing of X-ray diffraction data collected in oscillation mode [J].

Otwinowski, Z ;

Minor, W .

MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 :307-326

[9] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

[10]

Siddique WA, 2006, J CHEM SOC PAKISTAN, V28, P583

← 1 2 →