Bosentan monohydrate

被引:12
作者
Kaur, Manpreet [1 ]
Jasinski, Jerry P. [2 ]
Keeley, Amanda C. [2 ]
Yathirajan, H. S. [1 ]
Betz, Richard [3 ]
Gerber, Thomas [3 ]
Butcher, Ray J. [4 ]
机构
[1] Univ Mysore, Dept Studies Chem, Mysore 570006, Karnataka, India
[2] Keene State Coll, Dept Chem, 229 Main St, Keene, NH 03435 USA
[3] Nelson Mandela Metropolitan Univ, Dept Chem, ZA-6031 Port Elizabeth, South Africa
[4] Howard Univ, Dept Chem, Washington, DC 20059 USA
基金
美国国家科学基金会;
关键词
D O I
10.1107/S1600536812048969
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C27H29N5O6S center dot H2O {systematic name: 4tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2(pyrimidin-2-yl) pyrimidin-4-yl] benzene-1-sulfonamide monohydrate], the dihedral angle between the mean planes of the pyrimidine rings is 27.0 (1)degrees. The dihedral angle between the mean planes of the benzene rings is 47.7 (8)degrees, forming a Ushaped channel around the chain of twisted pyrimidine rings. The crystal packing is stabilized by O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds with a single water molecule, and weak O-H center dot center dot center dot N intermolecular interactions between the hydroxy group and one of the pyrimidine rings producing an two-dimensional supramolecular array in the bc plane. The title compound studied was a merohedral twin with the major component being approximately 57%.
引用
收藏
页码:O12 / +
页数:12
相关论文
共 8 条
[1]  
Agilent, 2012, CRYSALIS PRO CRYSALI
[2]   4-[(3-formyl-4-hydroxyphenyl)diazenyl]-N-(pyrimidin-2-yl)benzenesulfonamide [J].
El-Ghamry, Hoda ;
Issa, Raafat ;
El-Baradie, Kamal ;
Isagai, Keiko ;
Masaoka, Shigeyuki ;
Sakai, Ken .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 :O1673-U1192
[3]  
Gabbay E, 2007, VASC HEALTH RISK MAN, V3, P887
[4]   N-(2-{[5-Bromo-2-(morpholin-4-yl)-pyrimidin-4-yl]sulfanyl}-4-methoxy-phenyl)-4-methylbenzenesulfonamide [J].
Kant, Rajni ;
Gupta, Vivek K. ;
Kapoor, Kamini ;
Kumar, Mohan ;
Mallesha, L. ;
Sridhar, M. A. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 :02590-+
[5]  
Kumar D., 2011, J PHARM RES, V4, P1713
[6]   Bosentan: A review of its use in pulmonary arterial hypertension and systemic sclerosis [J].
Oldfield V. ;
Lyseng-Williamson K.A. .
American Journal of Cardiovascular Drugs, 2006, 6 (3) :189-208
[7]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[8]   STRUCTURE OF N-1-(2,6-DIMETHYL-4-PYRIMIDINYL)SULPHANILAMIDE (SULFISOMIDINE), C12H14N4O2S [J].
SINGH, TP ;
TIWARI, RK ;
SINGH, M .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1985, 41 (MAY) :752-755