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Towards An Understanding Of The Propensity For Crystalline Hydrate Formation By Molecular Compounds, Alankriti Bajpai, Hayley S Scott, Tony Pham, Kai-Jie Chen, Brian Space, Matteo Lusi, Miranda L Perry, Michael J Zaworotko
Towards An Understanding Of The Propensity For Crystalline Hydrate Formation By Molecular Compounds, Alankriti Bajpai, Hayley S Scott, Tony Pham, Kai-Jie Chen, Brian Space, Matteo Lusi, Miranda L Perry, Michael J Zaworotko
Chemistry Faculty Publications
Hydrates are technologically important and ubiquitous yet they remain a poorly understood and understudied class of molecular crystals. In this work, we attempt to rationalize propensity towards hydrate formation through crystallization studies of molecules that lack strong hydrogen-bond donor groups. A Cambridge Structural Database (CSD) survey indicates that the statistical occurrence of hydrates in 124 molecules that contain five- and six-membered N-heterocyclic aromatic moieties is 18.5%. However, hydrate screening experiments on a library of 11 N-heterocyclic aromatic compounds with at least two acceptor moieties and no competing hydrogen-bond donors or acceptors reveals that over 70% of this group …
Crystal Structures Of (Z)-5-[2-(Benzo[B]Thiophen-2-Yl)-1-(3,5-Dimethoxyphenyl)Ethenyl]-1H-Tetrazole And (Z)-5-[2-(Benzo[B]Thiophen-3-Yl)-1-(3,4,5-Trimethoxyphenyl)Ethenyl]-1H-Tetrazole, Narsimha Reddy Penthala, Jaishankar K. B. Yadlapalli, Sean Parkin, Peter A. Crooks
Crystal Structures Of (Z)-5-[2-(Benzo[B]Thiophen-2-Yl)-1-(3,5-Dimethoxyphenyl)Ethenyl]-1H-Tetrazole And (Z)-5-[2-(Benzo[B]Thiophen-3-Yl)-1-(3,4,5-Trimethoxyphenyl)Ethenyl]-1H-Tetrazole, Narsimha Reddy Penthala, Jaishankar K. B. Yadlapalli, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
(Z)-5-[2-(Benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I), was prepared by the reaction of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,5-dimethoxyphenyl)acrylonitrile with tributyltin azide via a [3 + 2]cycloaddition azide condensation reaction. The structurally related compound (Z)-5-[2-(benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole, C20H18N4O3S, (II), was prepared by the reaction of (Z)-3-(benzo[b]thiophen-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile with tributyltin azide. Crystals of (I) have two molecules in the asymmetric unit (Z′ = 2), whereas crystals of (II) have Z′ …
Crystal Structure Of Ethyl 4-[(E)-(4-Hy-Droxy-3-Meth-Oxy-Benzyl-Idene)Amino]-Benzoate: A P-Hy-Droxy Schiff Base, Jing Ling, Padmini Kavuru, Lukasz Wojtas, Keith Chadwick
Crystal Structure Of Ethyl 4-[(E)-(4-Hy-Droxy-3-Meth-Oxy-Benzyl-Idene)Amino]-Benzoate: A P-Hy-Droxy Schiff Base, Jing Ling, Padmini Kavuru, Lukasz Wojtas, Keith Chadwick
Chemistry Faculty Publications
The title p-hy-droxy Schiff base, C17H17NO4, was synthesized via the condensation reaction of benzocaine with vanillin. The benzyl-idine and benzoate rings are inclined to one another by 24.58 (8)°, and the conformation about the C=N bond is E. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming zigzag chains propagating along [010]. Adjacent chains are linked by C-H⋯π and weak offset π-π inter-actions [inter-centroid distance = 3.819 (1) Å], forming sheets parallel to (10-2).