(R,S)-2 '-Amino-6 '-methyl-2,5 ',5 '-trioxo-6 ' H-spiro[indoline-3,4 '-pyrano[3,2-c][2,1]benzothiazine]-3 '-carbonitrile dimethylformamide monosolvate

被引:2
作者
Shishkina, Svitlana V. [1 ]
Ukrainets, Igor V. [2 ]
Petrushova, Lidiya A. [2 ]
机构
[1] Natl Acad Sci Ukraine, STC Inst Single Crystals, 60 Lenina Ave, UA-61001 Kharkov, Ukraine
[2] Nat Univ Pharm, UA-61168 Kharkov, Ukraine
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
关键词
Data-to-parameter ratio = 12.5; Mean-(C-C) = 0.006 Å; R factor = 0.072; Single-crystal X-ray study; T = 293 K; WR factor = 0.194;
D O I
10.1107/S1600536814013634
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title solvate, C20H14N4O4S center dot C3H7NO, comprises a stereogenic centre but the centrosymmetric space group causes the presence of the racemate in the crystal. The spiro-joined fragments are almost orthogonal, with a dihedral angle of 86.8 (2)degrees between the mean planes of the pyrane ring and the dihydroindolone ring system. The atoms of the indolinone bicycle are coplanar, with an r.m.s. deviation of 0.005 angstrom. In the crystal, pairs of N-H center dot center dot center dot O hydrogen bonds link the molecules into centrosymmetric dimers which are linked to the dimethylformamide solvent molecules by further N-H center dot center dot center dot O hydrogen bonds. N-H center dot center dot center dot N hydrogen bonds link neighbouring dimers into [010] chains.
引用
收藏
页码:0786 / +
页数:10
相关论文
共 6 条
[1]  
Agilent, 2011, CRYSALIS CCD CRYSALI
[2]  
BURGI HB, 1994, STRUCTURE CORRELATIO, V2, P767
[3]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[4]   4-HYDROXY-2-QUINOLONES 172. SYNTHESIS AND STRUCTURE OF 4,3′-SPIRO[(6-ALLYL-2-AMINO-5-OXO-5,6-DIHYDRO-4H-PYRANO[3,2-c]QUINOLINE-3-CARBONITRILE)-2′-OXINDOLE] [J].
Ukrainets, I. V. ;
Red'kin, R. G. ;
Sidorenko, L. V. ;
Turov, A. V. .
CHEMISTRY OF HETEROCYCLIC COMPOUNDS, 2009, 45 (12) :1478-1484
[5]   STEREOCHEMICAL STUDIES .34. QUANTITATIVE DESCRIPTION OF RING PUCKERING VIA TORSIONAL ANGLES - THE CASE OF 6-MEMBERED RINGS [J].
ZEFIROV, NS ;
PALYULIN, VA ;
DASHEVSKAYA, EE .
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1990, 3 (03) :147-158
[6]  
Zefirov YV, 1997, KRISTALLOGRAFIYA+, V42, P122