Literature DB >> 26279937

Crystal structure of 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-amino-3-nitro-4H,5H-pyrano[3,2-c]chromen-5-one chloro-form monosolvate.

Rajamani Raja1, Subramani Kandhasamy2, Paramasivam T Perumal2, A SubbiahPandi1.   

Abstract

In the title compound, C23H14Cl4N2O7, the pyran ring has an envelope conformation with the methine C atom as the flap. The chromene rings are almost planar (r.m.s. deviations of 0.027 and 0.018 Å) and their mean planes are inclined to one another by 85.61 (10)°. The mean planes of the pyran ring and the chromene ring fused to it are inclined to one another by 7.41 (13)°. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond, generating an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R (2) 2(12) ring motif. The dimers are linked by pairs of C-H⋯O hydrogen bonds, enclosing R (2) 2(18) ring motifs, forming chains along [010]. Within the chains there are C-H⋯π inter-actions. The chains are linked via slipped parallel π-π inter-actions, forming a three-dimensional structure [the shortest inter-centroid distance is 3.7229 (19) Å].

Entities:  

Keywords:  C—H⋯π inter­actions; chromene; chromones; crystal structure; hydrogen bonding; inversion dimers; pyran; π–π inter­actions

Year:  2015        PMID: 26279937      PMCID: PMC4518942          DOI: 10.1107/S2056989015011810

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  12 in total

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