CrystEngComm最新文献

{"title":"Crystal structure and magnetoresistance of vacancy-ordered perovskite SrV0.3Fe0.7O2.8 at low temperature†","authors":"Teppei Nagase, Takumi Nishikubo, Yuki Sakai, Kei Shigematsu, Ko Mibu, Masato Hagihala, Masaki Azuma and Takafumi Yamamoto","doi":"10.1039/D5CE00028A","DOIUrl":"https://doi.org/10.1039/D5CE00028A","url":null,"abstract":"<p >Vacancy-ordering in perovskite oxides brings a rich variety of structures and accompanying physical properties. Previously, we reported room-temperature magnetoresistance in SrV<small>_0.3</small>Fe<small>_0.7</small>O<small>_2.8</small> with ordered oxygen vacancies in the primitive perovskite (111)<small>_p</small> plane. In this report, we characterize the structure and physical properties of SrV<small>_0.3</small>Fe<small>_0.7</small>O<small>_2.8</small> at low temperatures. This compound undergoes a structural phase transition from the rhombohedral phase to the monoclinic phase by cooling down to <em>T</em><small>_s</small> = 200 K. The transition induces octahedral tilting, affecting its magnetization behaviour: The compound shows weak ferromagnetism with almost zero coercivity above <em>T</em><small>_s</small>, while the coercivity prominently increases below <em>T</em><small>_s</small>, keeping its weak ferromagnetism. We also observed an enhancement of magnetoresistance by decreasing temperature, reaching −18% at 130 K and 9 T.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2683-2688"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d5ce00028a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New salt-solvates of Mirabegron: a combined experimental and computational study†","authors":"Rafel Prohens, Rafael Barbas, Miquel Barceló-Oliver and Antonio Frontera","doi":"10.1039/D4CE01228C","DOIUrl":"https://doi.org/10.1039/D4CE01228C","url":null,"abstract":"<p >A comprehensive combined virtual and experimental multicomponent solid-form screening has been carried out for Mirabegron, a therapeutic agent widely prescribed for interstitial cystitis and bladder pain syndrome. This systematic approach resulted in the identification and structural elucidation of three novel salt/solvate forms using single-crystal X-ray diffraction (SCXRD). These include two distinct mirabegron–orotate salts (<strong>1a</strong> and <strong>1b</strong>) and a mirabegron–isobutyrate (acetonitrile solvate) salt (<strong>2</strong>). A detailed Density Functional Theory (DFT) computational analysis unveiled a diverse array of intermolecular interactions in these newly characterized forms, some of which were not observed in the elusive crystal structure of Mirabegron previously reported in the literature. These interactions, essential for understanding the stability and properties of the solid forms, have been meticulously evaluated both structurally and energetically. Advanced computational tools, including Quantum Theory of Atoms in Molecules (QTAIM), non-covalent interaction (NCIPlot) analysis, and Molecular Electrostatic Potential (MEP) surface mapping, were employed to provide in-depth insights into the nature and strength of these interactions, further enriching the understanding of Mirabegron's solid-state chemistry.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2720-2728"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d4ce01228c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Calculating and analyzing the relationship between thermal conductivity and microstructure in rare-earth doped fluoride crystals†","authors":"Kexin Liu, Dapeng Jiang, Gang Bian and Liangbi Su","doi":"10.1039/D4CE01308E","DOIUrl":"https://doi.org/10.1039/D4CE01308E","url":null,"abstract":"<p >Rare earth (RE) ion-doped fluoride crystals have shown great application potential in various fields, attracting the attention of many researchers. The abnormal thermal transformation behavior of RE ion-doped fluoride crystals leads to the singularity and weakness in their application fields. Here, the influence of different structural characteristics of RE ion-doped fluoride crystals on the variation of thermal conductivity is further analyzed using phonon scattering calculation. Firstly, based on the effect of the phonon scattering mechanism on the thermal conductivity of RE ion-doped fluoride, a comprehensive analysis examines the diverse factors that affect the abnormal thermal behavior of different doping types and fluoride crystals. The actual thermal conductivity characteristics are predicted to optimize the crystal performance in various application fields of RE ion-doped fluoride crystals. Next, the influence mechanism of the mass and radius difference caused by RE ion doping structure on the thermal conductivity of RE ion-doped fluorides is thoroughly investigated. Ultimately, a theoretical foundation for the behavior and influence of disorder crystals' thermal conductivity is established.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2623-2634"},"PeriodicalIF":2.6,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Growth and characterization of a 2-inch (02) plane β-Ga2O3 crystal via the edge-defined film-fed growth method","authors":"Jin Zhang, Boyang Chen, Zhucheng Li, Yiyaun Liu, Yue Dong, Bowen Yu, Zhitai Jia, Xutang Tao and Wenxiang Mu","doi":"10.1039/D4CE01282H","DOIUrl":"https://doi.org/10.1039/D4CE01282H","url":null,"abstract":"<p >β-Ga<small>₂</small>O<small>₃</small>, with its exceptional performance, is highly favored in the application of vertical structure power devices. However, its low symmetry and anisotropy present a series of challenges during the wet etching process for device fabrication. In this work, a 2-inch (<img>02) plane β-Ga<small>₂</small>O<small>₃</small> crystal was successfully grown <em>via</em> the edge-defined film-fed growth (EFG) method, and its comprehensive characterization analysis was performed. High-resolution XRD results revealed that the FWHM of the rocking curve was 57.672 arcsec; after surface etching, the dislocation density of the crystal was estimated to be 5.69 × 10<small>³</small> cm<small>⁻²</small>, indicating a high-quality crystal. Additionally, no nanopipes perpendicular to the crystal plane were observed on the (<img>02) plane, which helped in preventing device leakage. SEM results of the (<img>02) plane after wet etching revealed that the β-Ga<small>₂</small>O<small>₃</small> (<img>02) plane remained perpendicular to the (100) plane of the sidewall, a characteristic that effectively enhanced the device's voltage withstanding capability and prevented premature breakdown. Furthermore, the (<img>02) plane exhibits a thermal conductivity of 15.8 W (m<small>⁻¹</small> K<small>⁻¹</small>) at room temperature, superior to that of the (100) plane. The polarized Raman results showed that all the <em>A</em><small>_g</small>-mode peaks of the (<img>02) plane could be measured; however, <em>B</em><small>_g</small>(1) and <em>B</em><small>_g</small>(3) peaks were not detected, and anisotropy was observed within the (<img>02) plane. XPS analysis was also conducted to assess the surface chemical composition and defects of the (<img>02) plane. Most importantly, the bandgap of the (<img>02) plane was calculated to be 4.70 eV using transmittance spectroscopy, and the valence band maximum of the (<img>02) plane was measured to be 3.70 eV using XPS. Notably, the surface barrier of the (<img>02) plane was calculated to be only 1.00 eV, which is the lowest value among all the known β-Ga<small>₂</small>O<small>₃</small> planes, indicating that the (<img>02) plane is more likely to form high-quality ohmic contacts in power devices. In summary, the (<img>02) plane demonstrated excellent comprehensive performance in the preparation of vertical structure power devices, suggesting its significant application potential in the field of β-Ga<small>₂</small>O<small>₃</small> device fabrication.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2739-2747"},"PeriodicalIF":2.6,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism†","authors":"Sasikala Ravi, R. Rameshbabu Priyadharsan, Subramanian Karthikeyan, Mehboobali Pannipara, Abdullah G. Al-Sehemi, Dohyun Moon and Savarimuthu Philip Anthony","doi":"10.1039/D4CE01317D","DOIUrl":"https://doi.org/10.1039/D4CE01317D","url":null,"abstract":"<p >Exploring new organic solid-state fluorescent molecules with tunable and switchable fluorescence is of fundamental importance for understanding the structure–property relationship and developing efficient materials for device applications. Herein, we have designed and synthesized blue-emitting cyanophenyl ether attached triphenylamine (TPA)-based donor–acceptor derivatives (CPDB-MN, CPDB-ECA, CPDB-CA, CPDB-CAA and CPDB-MBA) and investigated their solid-state fluorescence and stimuli-responsive fluorescence switching. All five fluorophores exhibited tunable dual-state (solution and solid-state) emission, depending on the solvent polarity and acceptor functionality. The CPDB derivatives showed dual fluorescence at shorter and longer wavelengths in solution, which might be attributed to the integration of blue-emitting cyanophenyl with the TPA donor–acceptor unit. In the solid-state, these derivatives showed aggregation-induced emission (AIE), predominantly from the TPA donor–acceptor system. The CPDB molecules exhibited tunable solid-state fluorescence between 532 and 615 nm (quantum yield (<em>Φ</em><small>_f</small>) = 1.02% to 14.14%). Solid-state structural analysis revealed that cyanophenyl and diphenylamine adopted different conformations depending on the acceptor. Weak intermolecular interactions in the crystal lattice created a network structure and increased structural rigidity in the solid-state. Computational studies further supported the conformational changes, showing that acceptors influenced the optical bandgap and fluorescence tuning. Notably, CPDB-CA displayed mechanical stimuli-responsive reversible/self-reversible fluorescence switching due to a reversible phase transition. Powder X-ray diffraction (PXRD) was performed to gain insights into fluorescence switching and phase transitions. Thus, the present work studied the effect of the acceptor unit on the molecular conformation and solid-state fluorescence.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2759-2766"},"PeriodicalIF":2.6,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication of an efficient bifunctional acid catalyst based on MIL-88B(Fe) for solvent-free ring-opening of epoxides with alcohols†","authors":"Mahdiyeh-Sadat Hosseini, Alireza Abbasi, Peyman Ghorbani and Majid Masteri-Farahani","doi":"10.1039/D4CE01072H","DOIUrl":"https://doi.org/10.1039/D4CE01072H","url":null,"abstract":"<p >A new bifunctional heterogeneous acid catalyst with both Lewis and Brønsted acid sites was successfully synthesized <em>via</em> the post-synthetic modification (PSM) method. To this end, a stable metal–organic framework (MOF), namely MIL-88B(Fe), with several coordination unsaturated sites (CUSs) as Lewis acids was modified with sulfamic acid to increase the acidity of the MOF. Both X-ray diffraction (XRD) and N<small>₂</small> sorption techniques confirmed the introduction of sulfamic acids into the MOF structure through the displacement of the (101) crystal plane to lower angles and increase in the surface area (BET method) and pore volume, respectively, owing to the swelling effect of this MOF. Furthermore, the existence of sulfamic acids in the backbone of the MIL-88B(Fe)/SA catalyst was detected using energy dispersive X-ray (EDX) and FT-IR analyses. The solvent-free ring-opening of styrene oxide with methanol was initially conducted to evaluate the catalytic performance of the catalyst. Compared to MIL-88B(Fe) with Lewis acidity, bifunctional MIL-88B(Fe)/SA demonstrated the highest styrene oxide conversion (95%) owing to the synergy between Lewis and Brønsted acid sites. Besides, some epoxides and alcohols were utilized in this catalytic reaction, and its reusability and stability were found excellent in consecutive catalytic runs.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2729-2738"},"PeriodicalIF":2.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites†","authors":"Hendrik J. van der Poll, Rudolph Erasmus and Melanie Rademeyer","doi":"10.1039/D4CE00907J","DOIUrl":"https://doi.org/10.1039/D4CE00907J","url":null,"abstract":"<p >Ten hybrid metal halide perovskites containing divalent dabconium cations and alkali-metal ions have been structurally characterised and their band gaps determined, with six new crystal structures reported. Five compounds of the formula (C<small>₆</small>H<small>₁₄</small>N<small>₂</small>)[BX<small>₃</small>], where B = Na<small>⁺</small> and X = Cl<small>⁻</small> or Br<small>⁻</small>, B = K<small>⁺</small> and X = Cl<small>⁻</small> or Br<small>⁻</small> and B = Cs<small>⁺</small> and X = I<small>⁻</small>, were found to exhibit one-dimensional (1D) hexagonal perovskite structures containing face-sharing metal halide octahedra that form 1D inorganic polymers. Five compounds of the formula (C<small>₆</small>H<small>₁₄</small>N<small>₂</small>)[BX<small>₃</small>], where B = K<small>⁺</small> and X = Br<small>⁻</small> or I<small>⁻</small>, and B = Cs<small>⁺</small> and X = Cl<small>⁻</small>, Br<small>⁻</small> or a mixture of Cl<small>⁻</small> and I<small>⁻</small>, display three-dimensional (3D) parent perovskite structures containing corner sharing metal halide octahedra that form a 3D framework. A correlation was found between the formation of a 1D or 3D perovskite structure and the sum of ionic radii of the metal and halide ions. The band gaps of the compounds fall in the range 3.42 eV to 5.33 eV. It was found that a 3D perovskite has a smaller band gap than a 1D perovskite, while the halide ion also affects the band gap.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 16","pages":" 2545-2558"},"PeriodicalIF":2.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d4ce00907j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A flexible molecular organic crystal with π–π bonding for the highly selective recognition of hydrogen isotopes†","authors":"Min Lei, Lisha Jiang, Chunhui Wang, Jianxin Song, Wei Liu and Jie Qiu","doi":"10.1039/D5CE00221D","DOIUrl":"https://doi.org/10.1039/D5CE00221D","url":null,"abstract":"<p >Deuterium oxide (D<small>₂</small>O) is widely used in diverse fields, notably as a moderator in heavy water reactors, for electrolytic extraction of deuterium gas, and in nuclear magnetic resonance (NMR) research. However, it exhibits a high susceptibility to H<small>₂</small>O contamination. Herein, a fluorescent hydrogen-bonded molecular organic crystal (ASP-101) with robust π–π interactions was synthesized by using 5,5′-(9,10-anthracene diphenyl dicarboxylic acid) (H<small>₄</small>ADIP) and dimethyl sulfoxide (DMSO). Distinct fluorescence quenching phenomena were observed when ASP-101 was soaked in H<small>₂</small>O and D<small>₂</small>O. Based on these phenomena, subsequent studies demonstrated that ASP-101 is capable of detecting trace amounts of H<small>₂</small>O in D<small>₂</small>O, with a <em>K</em><small>_SV</small> value of 6 × 10<small>⁻²</small> M<small>⁻¹</small> and a detection limit of 6.5 × 10<small>⁻³</small> M (0.117 ppm). Batch experiments proved that the DMSO molecules within ASP-101 undergo exchange with H<small>₂</small>O and D<small>₂</small>O after soaking in aqueous solution. Previous research had found that deuteration can affect the emission properties of organic molecules. Thus, ASP-101's ability to detect H<small>₂</small>O in D<small>₂</small>O may be attributed to the fluorescent difference arising from the incorporation of H<small>₂</small>O and D<small>₂</small>O into its structure <em>via</em> solvent exchange. This study presents an authentic scenario for advancing isotopic identification based on alterations in fluorescence induced by solvent exchange.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 16","pages":" 2591-2599"},"PeriodicalIF":2.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bright electrospun white Y2Zr2O7:Tm3+/Dy3+ nanotubes with excellent thermal quenching resistance and ultralow color shift†","authors":"Shanshan Cong, Hongquan Yu, Zhichao Ren, Jiashi Sun, Xiangping Li, Sai Xu and Baojiu Chen","doi":"10.1039/D5CE00133A","DOIUrl":"https://doi.org/10.1039/D5CE00133A","url":null,"abstract":"<p >White LEDs are environmentally friendly light sources that have received extensive attention. The combination of an ultraviolet chip and three-color phosphors is the main method used to obtain white LED devices. The primary issues include the decrease in the luminescence intensity and lifetime, the reduction in the output power of the LED device, and the color shift of the phosphor in high-temperature environments caused by high operating currents and prolonged working times. In this work, bright single-phase full-spectrum white Tm<small>³⁺</small> and Dy<small>³⁺</small> Y<small>₂</small>Zr<small>₂</small>O<small>₇</small> (YZO) nanotubes with high thermal stability and ultralow color drift were prepared by an electrospinning technique at 1300 °C. The color coordinates (0.3308, 0.332) of YZO:2%Tm<small>³⁺</small>/2%Dy<small>³⁺</small> nanotubes are very close to those of standard white light (0.33, 0.33). The luminescence properties of YZO:Tm<small>³⁺</small>/Dy<small>³⁺</small> nanotubes were investigated and compared with those of YZO:Tm<small>³⁺</small>/Dy<small>³⁺</small> powders prepared <em>via</em> a solid-state reaction at 1300 °C. At high temperatures, YZO:Tm<small>³⁺</small>/Dy<small>³⁺</small> nanotubes exhibit better thermal quenching resistance than YZO:Tm<small>³⁺</small>/Dy<small>³⁺</small> powders do because of their unique tubular structure. YZO:2%Tm/1%Dy nanotubes retains 91.23% of their initial emission intensity at 453 K compared to that at 303 K, whereas the emission intensity of YZO:2%Tm/1%Dy powders remains at 90.42% at 453 K compared to that at room temperature. YZO:2%Tm/1%Dy nanotubes have an ultralow color drift of 0.16% at 453 K, whereas that of YZO:2%Tm/1%Dy powders reaches 0.9% at the same temperature.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2748-2758"},"PeriodicalIF":2.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions†","authors":"Cinu Winson, Saravanan Kandasamy, Indira S. Divya, Krzysztof Wozniak and Sunil Varughese","doi":"10.1039/D5CE00025D","DOIUrl":"https://doi.org/10.1039/D5CE00025D","url":null,"abstract":"<p >Leveraging supramolecular interactions, we explored the structural diversity of molecular complexes formed from crown ethers and dithiooxamide (DTX) or 3,5-dinitroaniline (DNA). In our attempts to obtain ternary systems, co-crystallization was done in the presence or absence of halogenated compounds to utilize the orthogonality of the supramolecular interactions—hydrogen and halogen bonds. Nevertheless, binary complexes predominated but in diverse crystal forms. Though not present in the crystal lattice, the halogenated compounds, as scaffolds, are critical in attaining the conformational diversity in the crown ethers. The structural diversity in the multi-component systems highlights the versatility of interactions and the conformational flexibility of crown ethers. The adaptable nature of crown ethers facilitated interactions with coformers, resulting in complexes of varied stoichiometries. Experimental and computational analyses reveal distinct conformational motifs favoured by these molecules, influencing interaction profiles and crystal forms. This study underscores the importance of understanding molecular flexibility and diverse interactions for material synthesis and molecular design.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 17","pages":" 2698-2710"},"PeriodicalIF":2.6,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}