TY - JOUR
T1 - Synthesis, crystal structure and Hirshfeld surface analysis of a novel chalcone derivative
T2 - (2E)-3-(2,3-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
AU - Prabhu, Shobha R.
AU - Upadhyaya, V.
AU - Jayarama, A.
PY - 2017/12/1
Y1 - 2017/12/1
N2 - A novel chalcone derivative (2E)-3-(2,3-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one (3DPNP) has been synthesized and crystals have been grown by slow solvent evaporation solution growth technique. The crystals were characterized by FTIR, 1H NMR, DSC, TGA and single crystal X-ray diffraction methods. The crystals are thermally stable up to 143.5 °C. The compound crystalizes in the monoclinic system, in centrosymmetric space group P21/n with unit cell parameters a == 8.6125(3) Å b == 12.3005(4) Å c == 14.8416(5) Å α == γ == 90.00° β == 103.97(2)° Z == 4, V == 1525.79(9) Å3. The C–H…O intermolecular hydrogen bonding interactions stabilizes the crystal structure. Further the Hirshfeld surface analysis facilitates the study of the nature of intermolecular interactions and fingerprint plots provide the information about the percentage contribution from each individual contact.
AB - A novel chalcone derivative (2E)-3-(2,3-dimethoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one (3DPNP) has been synthesized and crystals have been grown by slow solvent evaporation solution growth technique. The crystals were characterized by FTIR, 1H NMR, DSC, TGA and single crystal X-ray diffraction methods. The crystals are thermally stable up to 143.5 °C. The compound crystalizes in the monoclinic system, in centrosymmetric space group P21/n with unit cell parameters a == 8.6125(3) Å b == 12.3005(4) Å c == 14.8416(5) Å α == γ == 90.00° β == 103.97(2)° Z == 4, V == 1525.79(9) Å3. The C–H…O intermolecular hydrogen bonding interactions stabilizes the crystal structure. Further the Hirshfeld surface analysis facilitates the study of the nature of intermolecular interactions and fingerprint plots provide the information about the percentage contribution from each individual contact.
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U2 - 10.1016/j.cdc.2017.10.001
DO - 10.1016/j.cdc.2017.10.001
M3 - Article
AN - SCOPUS:85032388121
SN - 2405-8300
VL - 11-12
SP - 199
EP - 210
JO - Chemical Data Collections
JF - Chemical Data Collections
ER -