In the current study, two novel Knoevenagel condensation products of substituted napthofuran-2-carbaldehydes were designed, synthesized and characterized. In order to study the intermolecular interactions of titl...In the current study, two novel Knoevenagel condensation products of substituted napthofuran-2-carbaldehydes were designed, synthesized and characterized. In order to study the intermolecular interactions of title compounds, single crystals were grown by slow evaporation solution growth technique at </span><span style="font-family:Verdana;">r</span><span style="font-family:Verdana;">oom temperature and crystal structure has been determined by single crystal X-ray diffraction technique. Both the molecule</span><span style="font-family:Verdana;">s</span><span style="font-family:""><span style="font-family:Verdana;"> crystallize in the monoclinic centrosymmetric space group </span><i><span style="font-family:Verdana;">P</span></i><span style="font-family:Verdana;">2</span><sub><span style="font-size:12px;font-family:Verdana;">1</span></sub><span style="font-family:Verdana;">/</span><i><span style="font-family:Verdana;">c</span></i><span style="font-family:Verdana;"> with one molecule in the asymmetric unit. In compound </span><b><span style="font-family:Verdana;">[4] </span></b><span style="font-family:Verdana;">the molecules are connected via bifurcated C-H···O=C and C-H···N=C</span></span><span style="font-family:Verdana;"> </span><span style="font-family:""><span style="font-family:Verdana;">H-bonds and van der Waals interactions forming a layered structure, whereas in compound </span><b><span style="font-family:Verdana;">[5a</span></b></span><span style="font-family:Verdana;"><b>]</b></span><span style="font-family:""><span style="font-family:Verdana;"> the molecular conformation is stabilized via intramolecular C-H···O H-bond and molecule interacts with other molecule generated via 2</span><sub><span style="font-size:12px;font-family:Verdana;">1</span></sub><span style="font-family:Verdana;">-screw </span><i><span style="font-family:Verdana;">via</span></i><span style="font-family:Verdana;"> bifurcated C-H···O=</span></span><span style="font-family:Verdana;">C along with C-H···N=C H-bonds, which are interacting with nitro- of ot</span><span style="font-family:Verdana;">her molecule generated via same symmetry operation, forming bifurcated C-H···O-N </span><span style="font-family:Verdana;">H-bonds, which helps in formation of molecular sheet-like structure.</span><span style="font-family:Verdana;">Further, in order to understand the various type</span><span style="font-family:Verdana;">s</span><span style="font-family:Verdana;"> and nature of intermolecular interactions</span><span style="font-family:Verdana;"> in the supramolecular structure Hirshfeld</span><span style="font-family:Verdana;"> surface analysis</span><span style="font-family:Verdana;"> and fingerprint plot analysis was carried out.展开更多
The crystal and molecular structure of 2-Amino-3-ethyl carboxamido-4-methyl-5-carboxy ethyl thiophene (C11H16N2O3S) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate...The crystal and molecular structure of 2-Amino-3-ethyl carboxamido-4-methyl-5-carboxy ethyl thiophene (C11H16N2O3S) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated inter and intra-molecular hydrogen bonding and related weak interactions present in this molecule. This compound crystallizes in the monoclinic space group P21/c with cell parameters, a = 8.1344(3) , b = 13.7392(4) , c = 11.4704(4) , β = 100.769(2), V = 1259.36 (7) 3, D = 1.352 g·cm–3, Z = 4. The molecular geometry is stabilized by intra-molecular N-H…O=C and C-H…O interactions along with intramolecular C-H…N and C-H…O interactions which contribute towards the stability of the crystal packing.展开更多
文摘In the current study, two novel Knoevenagel condensation products of substituted napthofuran-2-carbaldehydes were designed, synthesized and characterized. In order to study the intermolecular interactions of title compounds, single crystals were grown by slow evaporation solution growth technique at </span><span style="font-family:Verdana;">r</span><span style="font-family:Verdana;">oom temperature and crystal structure has been determined by single crystal X-ray diffraction technique. Both the molecule</span><span style="font-family:Verdana;">s</span><span style="font-family:""><span style="font-family:Verdana;"> crystallize in the monoclinic centrosymmetric space group </span><i><span style="font-family:Verdana;">P</span></i><span style="font-family:Verdana;">2</span><sub><span style="font-size:12px;font-family:Verdana;">1</span></sub><span style="font-family:Verdana;">/</span><i><span style="font-family:Verdana;">c</span></i><span style="font-family:Verdana;"> with one molecule in the asymmetric unit. In compound </span><b><span style="font-family:Verdana;">[4] </span></b><span style="font-family:Verdana;">the molecules are connected via bifurcated C-H···O=C and C-H···N=C</span></span><span style="font-family:Verdana;"> </span><span style="font-family:""><span style="font-family:Verdana;">H-bonds and van der Waals interactions forming a layered structure, whereas in compound </span><b><span style="font-family:Verdana;">[5a</span></b></span><span style="font-family:Verdana;"><b>]</b></span><span style="font-family:""><span style="font-family:Verdana;"> the molecular conformation is stabilized via intramolecular C-H···O H-bond and molecule interacts with other molecule generated via 2</span><sub><span style="font-size:12px;font-family:Verdana;">1</span></sub><span style="font-family:Verdana;">-screw </span><i><span style="font-family:Verdana;">via</span></i><span style="font-family:Verdana;"> bifurcated C-H···O=</span></span><span style="font-family:Verdana;">C along with C-H···N=C H-bonds, which are interacting with nitro- of ot</span><span style="font-family:Verdana;">her molecule generated via same symmetry operation, forming bifurcated C-H···O-N </span><span style="font-family:Verdana;">H-bonds, which helps in formation of molecular sheet-like structure.</span><span style="font-family:Verdana;">Further, in order to understand the various type</span><span style="font-family:Verdana;">s</span><span style="font-family:Verdana;"> and nature of intermolecular interactions</span><span style="font-family:Verdana;"> in the supramolecular structure Hirshfeld</span><span style="font-family:Verdana;"> surface analysis</span><span style="font-family:Verdana;"> and fingerprint plot analysis was carried out.
文摘The crystal and molecular structure of 2-Amino-3-ethyl carboxamido-4-methyl-5-carboxy ethyl thiophene (C11H16N2O3S) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated inter and intra-molecular hydrogen bonding and related weak interactions present in this molecule. This compound crystallizes in the monoclinic space group P21/c with cell parameters, a = 8.1344(3) , b = 13.7392(4) , c = 11.4704(4) , β = 100.769(2), V = 1259.36 (7) 3, D = 1.352 g·cm–3, Z = 4. The molecular geometry is stabilized by intra-molecular N-H…O=C and C-H…O interactions along with intramolecular C-H…N and C-H…O interactions which contribute towards the stability of the crystal packing.
