In the title compound, CHNO, the 2,3-di-hydro-1-benzo-furan ring system is essentially planar and makes a dihedral angle of 3.69 (7)° with the di-methyl-phenyl ring. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond with an (6) ring motif. In the crystal, mol-ecules are connected by C-H⋯π and π-π stacking inter-actions, forming a layer lying parallel to the (11) plane. One methyl group is disordered over two orientations, with occupancies of 0.67 (4) and 0.33 (4). Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (51.2%), O⋯H/H⋯O (17.9%), C⋯H/H⋯C (15.2%) and C⋯C (8.1%) contacts.
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http://dx.doi.org/10.1107/S2056989021011749 | DOI Listing |
Acta Crystallogr C Struct Chem
January 2025
College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241000, People's Republic of China.
A new twofold interpenetrated 3D metal-organic framework (MOF), namely, poly[[μ-aqua-diaqua{μ-2,2'-[terephthaloylbis(azanediyl)]diacetato}barium(II)] dihydrate], {[Ba(CHNO)(HO)]·2HO}, (I), has been assembled through a combination of the reaction of 2,2'-[terephthaloylbis(azanediyl)]diacetic acid (TPBA, HL) with barium hydroxide and crystallization at low temperature. In the crystal structure of (I), the nine-coordinated Ba ions are bridged by two μ-aqua ligands and two carboxylate μ-O atoms to form a 1D loop-like Ba-O chain, which, together with the other two coordinated water molecules and μ-carboxylate groups, produces a rod-like secondary building unit (SBU). The resultant 1D polynuclear SBUs are further extended into a 3D MOF via the terephthalamide moiety of the ligand as a spacer.
View Article and Find Full Text PDFInorg Chem
January 2025
School of Chemistry and Chemical Engineering, Nanchang University, Nanchang 330031, P. R. China.
Organic-inorganic hybrid lead halides have been extensively studied due to their outstanding physical properties and diverse compositional elements. However, environmentally benign tin-based hybrids with remarkable flexibility in bandgap engineering have been less investigated. Herein, we report the successful design and synthesis of three tin-based organic-inorganic hybrid compounds through precise molecular modification: [Me(i-Pr)N][SnBr] (), [MeCHCl(i-Pr)N][SnBr] (), and [MeCHBr(i-Pr-Br)N][SnBr] ().
View Article and Find Full Text PDFInt J Pharm
December 2024
Center for Science of Imperatriz, Federal University of Maranhão - UFMA, 65900-410, Imperatriz, MA, Brazil. Electronic address:
This study reports the synthesis and the experimental-theoretical characterization of a new coamorphous system consisting of ethionamide (ETH) and mandelic acid (MND) as a coformer. The solid dispersion was synthesized using the slow solvent evaporation method in an ethanolic medium. The structural, vibrational, and thermal properties of the system were characterized.
View Article and Find Full Text PDFChem Asian J
December 2024
IIT Bhilai: Indian Institute of Technology Bhilai, Chemistry, INDIA.
Investigating solid-state photoreactivity, driven by crystal packing, has been a major enduring research theme in Crystal Engineering. Trans-3-styryl pyridine (3-StPy), an unsymmetric olefin, is photo-stable. However, when converted to a series of salts, they exhibited solid-state photoreactivity under UV irradiation.
View Article and Find Full Text PDFRSC Adv
December 2024
Beijing City Key Laboratory of Polymorphic Drugs, Center of Pharmaceutical Polymorphs, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 P.R. China
This study presents the synthesis and characterization of novel cocrystal structures of theophylline (THE) with the amino acids gamma-aminobutyric acid (GABA) and l-arginine (ARG). Despite a large number of reports about THE cocrystals, no crystallographic parameters of cocrystals formed by THE and amino acids have been reported. THE is characterized by low solubility, while amino acids as cocrystal co-formers (CCFs) are increasingly recognized for their high solubility and safety.
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