TY - JOUR
T1 - Crystal structure of (Z)-2-amino-4-(2-amino-2-(4-bromophenylthio)-1- cyanovinyl)-6-bromo-4H-chromene-3-carbonitrile, C19H 12Br2N4OS
AU - Gan, Haifeng
AU - Liu, Xeuwei
AU - Guo, Kai
PY - 2013/10/25
Y1 - 2013/10/25
N2 - (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).
AB - (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).
UR - http://www.scopus.com/inward/record.url?scp=84887221051&partnerID=8YFLogxK
U2 - 10.1524/ncrs.2013.0174
DO - 10.1524/ncrs.2013.0174
M3 - 文章
AN - SCOPUS:84887221051
SN - 1433-7266
VL - 228
SP - 351
EP - 352
JO - Zeitschrift fur Kristallographie - New Crystal Structures
JF - Zeitschrift fur Kristallographie - New Crystal Structures
IS - 3
ER -