Ethyl 3-[6-(4-methoxybenzenesulfon-amido)-2H-indazol-2-yl]propanoate monohydrate

被引：14

作者：

Abbassi, Najat ^{[1
]}

Rakib, El Mostapha ^{[1
]}

Hannioui, Abdellah ^{[1
]}

Saadi, Mohamed ^{[2
]}

El Ammari, Lahcen ^{[2
]}

机构：

[1] Univ Sultan Moulay Slimane, Fac Sci & Tech, Lab Chim Organ & Analyt, BP 523, Beni Mellal, Morocco

[2] Univ Mohammed V Agdal, Fac Sci, Lab Chim Solide Appl, Rabat, Morocco

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷

关键词：

data-to-parameter ratio = 15.3; mean σ(C-C) = 0.003 Å; R factor = 0.031; single-crystal X-ray study; T = 296 K; wR factor = 0.077;

D O I：

10.1107/S1600536812051975

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C19H21N3O5S.H2O, the central indazole system is essentially planar (r.m.s. deviation = 0.012 angstrom), while both the benzene ring and the mean plane defined by the nonH atoms of the ethyl propionic ester unit (r.m.s. deviation = 0.087 angstrom ) are nearly perpendicular to the indazole plane, as indicated by the dihedral angles of 82.45 (8) and 75.62 (8)(degrees), respectively. Consequently, the molecule adopts a U-shaped geometry. In the crystal, the water molecule, which is linked to the indazole system by a strong O-H center dot center dot center dot N hydrogen bond, is also involved in two additional N-H center dot center dot center dot O and O-H center dot center dot center dot O interactions, which link the organic molecules into chains along the b-axis direction.

引用

页码：O190 / +

页数：10

共 12 条

[1] Synthesis, antiproliferative and apoptotic activities of N-(6(4)-indazolyl)-benzenesulfonamide derivatives as potential anticancer agents
Abbassi, Najat
Chicha, Hakima
Rakib, El Mostapha
Hannioui, Abdellah
Alaoui, Mdaghri
Hajjaji, Abdelouahed
Geffken, Detlef
Aiello, Cinzia
Gangemi, Rosaria
Rosano, Camillo
Viale, Maurizio
[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2012, 57 : 240 - 249
[2] Synthesis and biological evaluation of N-(7-indazolyl)benzenesulfonamide derivatives as potent cell cycle inhibitors
Bouissane, L
El Kazzouli, S
Léonce, S
Pfeiffer, B
Rakib, EM
Khouili, M
Guillaumet, G
[J]. BIOORGANIC & MEDICINAL CHEMISTRY, 2006, 14 (04) : 1078 - 1088
[3] Bruker, 2009, APEX2 SAINT SADABS
[4] Carbonic anhydrase inhibitors: Synthesis and inhibition of the human cytosolic isozymes I and II and transmembrane isozymes IX, XII (cancer-associated) and XIV with 4-substituted 3-pyridinesulfonamides
Brzozowski, Zdzislaw
Slawinski, Jaroslaw
Saczewski, Franciszek
Innocenti, Alessio
Supuran, Claudiu T.
[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (06) : 2396 - 2404
[5] Drug discovery: A historical perspective
Drews, J
[J]. SCIENCE, 2000, 287 (5460) : 1960 - 1964
[6] WinGX and ORTEP for Windows: an update
Farrugia, Louis J.
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 : 849 - 854
[7] ON ENANTIOMORPH-POLARITY ESTIMATION
FLACK, HD
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (NOV): : 876 - 881
[8] Synthesis and antibacterial activity of some 5-guanylhydrazone/thiocyanato-6-arylimidazo[2,1-b]-1,3,4-thiadiazole-2-sulfonamide derivatives
Gadad, AK
Mahajanshetti, CS
Nimbalkar, S
Raichurkar, A
[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2000, 35 (09) : 853 - 857
[9] Carbonic anhydrase inhibitors: Novel sulfonamides incorporating 1,3,5-triazine moieties as inhibitors of the cytosolic and tumour-associated carbonic anhydrase isozymes I, II and IX
Garaj, V
Puccetti, L
Fasolis, G
Winum, JY
Montero, JL
Scozzafava, A
Vullo, D
Innocenti, A
Supuran, CT
[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2005, 15 (12) : 3102 - 3108
[10] A short history of SHELX
Sheldrick, George M.
[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122

← 1 2 →