Crystal structure of (Z)-2-amino-4-(2-amino-2-(4-bromophenylthio)-1- cyanovinyl)-6-bromo-4H-chromene-3-carbonitrile, C19H 12Br2N4OS

Haifeng Gan, Xeuwei Liu, Kai Guo

Research output: Contribution to journalArticlepeer-review

Abstract

(Equation presentation) (Table presentation) Source of material 5-bromo-2-hydroxybenzaldehyde (5.0 mmol, 2.02 g), malononitrile (10.1 mmol, 0.67 g) and 4-bromobenzenethiol (5.0 mmol, 0.97 g) were dissolved in ethanol (20 mL). Piperidine (0.5 mmol, 0.05 mL) was added to the solution and the reaction mixture stired at room temperature for 1.5h. The solution was filtered, and a white solid was obtained (2.16 g, 85.7% yield). Recrystallization from a tetrahydrofuran solution at room temperature yielded crystals suitable for single-crystal X-ray diffraction. Experimental details H atoms were positioned geometrically with C-H = 0.93, 0.98 and N-H = 0.86 Å for aromatic, methyl, and amino groups, respectively, and riding on their parent atoms, withUiso(H) = 1.2 (or 1.5 for methyl groups) times Ueq(C). Discussion (Z)-2-amino-4-(2-amino- 2-(4-bromophenylthio)-1-cyanovinyl)- 6-bromo-4H-chromene-3-carbonitrile is an important derivative of Chromene [1]. In the ctystal structure, intermolecular N-H...N hydrogen bonds link themolecules into chains, in which may be effective in the stabilization of the structure. (Table presentation).

Original languageEnglish
Pages (from-to)351-352
Number of pages2
JournalZeitschrift fur Kristallographie - New Crystal Structures
Volume228
Issue number3
DOIs
StatePublished - 25 Oct 2013

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