| Title: | Three isostructural solvates of a tetrahydrofurochromenone derivative |
| Author(s): | Sridhar B; Nanubolu JB; Ravikumar K; Karthik G; Reddy BVS; |
| Address: | "X-ray Crystallography Division, CSIR-Indian Institute of Chemical Technology, Hyderabad 500 007, India. Natural Product Chemistry, CSIR-Indian Institute of Chemical Technology, Hyderabad 500 007, India. Centre for Semiochemicals, CSIR-Indian Institute of Chemical Technology, Hyderabad 500 007, India" |
| Journal Title: | Acta Crystallogr C Struct Chem |
| DOI: | 10.1107/S2053229617005940 |
| ISSN/ISBN: | 2053-2296 (Electronic) 2053-2296 (Linking) |
| Abstract: | "Isostructurality is more likely to occur in multicomponent systems. In this context, three closely related solvates were crystallized, namely, benzene (C(27)H(21)BrO(6).C(6)H(6)), toluene (C(27)H(21)BrO(6).C(7)H(8)) and xylene (C(27)H(21)BrO(6).C(8)H(10)) with methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1H-furo[3,4-c]chromene-1-carboxylate, and their crystal structures determined. All three structures belong to the same space group (P-1) and display similar unit-cell dimensions and conformations, as well as isostructural crystal packings. The isostructurality is confirmed by unit-cell and isostructural similarity indices. In each solvate, weak C-H...O and C-H...pi interactions extend the molecules into two-dimensional networks, which are further linked by C-H...Br and Br...Br interactions into three-dimensional networks. The conformation of the core molecule is predominantly responsible for governing the isostructurality" |
| Keywords: | Br...Br interactions C-h...O C-H...pi Hirshfeld surface analysis crystal structure isostructurality solvates tetrahydrofurochromenone weak interactions; |
| Notes: | "PubMed-not-MEDLINESridhar, Balasubramanian Nanubolu, Jagadeesh Babu Ravikumar, Krishnan Karthik, Govindaraju Reddy, Basi Venkata Subba eng England 2017/05/05 Acta Crystallogr C Struct Chem. 2017 May 1; 73(Pt 5):407-413. doi: 10.1107/S2053229617005940. Epub 2017 Apr 25" |
