Literature DB >> 26870532

Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodi-thio-ate.

B R Anitha1, A Thomas Gunaseelan2, M Vinduvahini3, H D Kavitha4, H C Devarajegowda1.   

Abstract

In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C-H⋯F hydrogen bonds generate R 2 (2)(8) loops; C-H⋯O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π-π stacking inter-actions between the pyran rings of the chromene systems [centroid-centroid distance = 3.6940 (16) Å] are also observed.

Entities:  

Keywords:  2H-chromene; coumarin; crystal structure; ester; hydrogen bonding; morpholine-4-carbodi­thio­ate

Year:  2015        PMID: 26870532      PMCID: PMC4719885          DOI: 10.1107/S2056989015021179

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  4 in total

1.  Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1.

Authors:  Stefan Starcević; Petra Brozic; Samo Turk; Jozko Cesar; Tea Lanisnik Rizner; Stanislav Gobec
Journal:  J Med Chem       Date:  2010-12-07       Impact factor: 7.446

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

4.  (2-Oxo-2H-benzo[h]chromen-4-yl)methyl morpholine-4-carbodithio-ate.

Authors:  Rajni Kant; Vivek K Gupta; Kamini Kapoor; Gurvinder Kour; K Mahesh Kumar; N M Mahabaleshwaraiah; O Kotresh
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-03-17
  4 in total

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