Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate

被引:0
作者
Raja, Rajamani [1 ]
Kandhasamy, Subramani [2 ]
Perumal, Paramasivam T. [2 ]
SubbiahPandi, A. [1 ]
机构
[1] Presidency Coll Autonomous, Dept Phys, Chennai 600005, Tamil Nadu, India
[2] Cent Leather Res Inst, CSIR, Organ Chem Div, Chennai 600020, Tamil Nadu, India
关键词
crystal structure; chromene; bischromene; N-H center dot center dot center dot O hydrogen bonding; C-H center dot center dot center dot O hydrogen bonding;
D O I
10.1107/S2056989015014413
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 angstrom) are almost normal to one another with a dihedral angle of 85.59 (6)degrees. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N-H center dot center dot center dot O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by pairs of N-H center dot center dot center dot O hydrogen bonds, forming inversion dimers with an R-2(2)(12) ring motif. The dimers are linked by pairs of C-H center dot center dot center dot O hydrogen bonds, enclosing R-2(2)(6) ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C-H center dot center dot center dot O hydrogen bonds, forming slabs parallel to (110). Within the slabs there are C-H center dot center dot center dot pi interactions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).
引用
收藏
页码:O645 / +
页数:10
相关论文
共 10 条
[1]  
Bruker, 2008, APEX2 SAINT SADABS
[2]   Comprehensive Modulation of Naphthopyran Photochromism in a Rigid Host Matrix by Applying Polymer Conjugation [J].
Ercole, Francesca ;
Davis, Thomas P. ;
Evans, Richard A. .
MACROMOLECULES, 2009, 42 (05) :1500-1511
[3]   WinGX and ORTEP for Windows: an update [J].
Farrugia, Louis J. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854
[4]  
Geen GR., 1996, COMPREHENSIVE HETERO, V5, P469, DOI 10.1016/B978-008096518-5.00112-X
[5]   3-Formylchromones: Potential antiinflammatory agents [J].
Khan, Khalid M. ;
Ambreen, Nida ;
Mughal, Uzma Rasool ;
Jalil, Saima ;
Perveen, Shahnaz ;
Choudhary, M. Iqbal .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (09) :4058-4064
[6]   Cytotoxic activity of 3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones and 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides [J].
Raj, Tilak ;
Bhatia, Richa Kaur ;
Kapur, Ashish ;
Sharma, Madhunika ;
Saxena, A. K. ;
Ishar, M. P. S. .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (02) :790-794
[7]   Crystal structure of 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitro-4H, 5H-pyrano[3,2-c] chromen-5-one chloroform monosolvate [J].
Raja, Rajamani ;
Kandhasamy, Subramani ;
Perumal, Paramasivam T. ;
SubbiahPandi, A. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 :O512-U474
[8]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[9]   PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2015, 71 :9-18
[10]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155