Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica. Section C, Structural chemistry' volume of publication is 80
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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2312416 | CIF Paper | C36 H42 Cl2 N2 O3 | C 1 2/c 1 | 13.8926; 11.9663; 19.3872 90; 100.384; 90 | 3170.2 | Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A. Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 91-97 |
2312459 | CIF HKL Paper | C22 H22 N2 O2 | C 1 2/c 1 | 35.4947; 5.5238; 18.9927 90; 109.151; 90 | 3517.73 | Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya Three polymorphs of a new N,N'-dipropylated isoindigo derivative. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312463 | CIF Paper | C12 H17 N4 O4.5 S | C 1 2/c 1 | 35.1636; 7.8905; 10.4972 90; 100.091; 90 | 2867.5 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312478 | CIF Paper | C10 H16 Cu4 N6 O2 | C 1 2/c 1 | 9.6829; 8.2557; 21.4992 90; 95.212; 90 | 1711.52 | Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312506 | CIF HKL Paper | C18 H24 Ca O20 Zn | C 1 2/c 1 | 17.848; 20.106; 6.5975 90; 97.997; 90 | 2344.5 | Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312507 | CIF HKL Paper | C18 H24 Ca Co O20 | C 1 2/c 1 | 17.875; 20.192; 6.5339 90; 98.557; 90 | 2332 | Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312516 | CIF Paper | C38 H30 Cu2 N2 O15 | C 1 2/c 1 | 11.9851; 17.7472; 17.1294 90; 92.637; 90 | 3639.6 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312530 | CIF Paper | C12 H26 I14 N2 Pd2 S4 | C 1 2/c 1 | 21.609; 8.198; 24.151 90; 100.17; 90 | 4211.1 | Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin Formation of extended polyiodides at large cation templates. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 311-318 |
2312563 | CIF Paper | C55 H42 F18 Fe2 N15 P3 | C 1 2/c 1 | 25.562; 17.0373; 14.8998 90; 112.112; 90 | 6011.7 | Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E Formation of a diiron-(μ-η<sup>1</sup>:η<sup>1</sup>-CN) complex from acetonitrile solution. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312585 | CIF HKL Paper | C30 H32.4 Cl2 Cu3 N16 O20.2 | C 1 2/c 1 | 17.9569; 15.2466; 16.6781 90; 95.296; 90 | 4546.7 | Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312587 | CIF HKL Paper | C26 H30 N4 O4 S2 | C 1 2/c 1 | 30.0416; 9.7018; 24.0984 90; 129.744; 90 | 5400.6 | Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C. Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312614 | CIF Paper | C31 H19 B N6 S | C 1 2/c 1 | 49.653; 12.1268; 27.559 90; 114.838; 90 | 15059 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312622 | CIF HKL Paper | C66 H86.67 N12 Nd4 O51.33 S6 | C 1 2/c 1 | 44.4766; 21.3079; 10.3339 90; 109.625; 90 | 9224.57 | Calisto, Victoria F. M.; De Abreu, Heitor A.; Diniz, Renata Experimental and theoretical structural investigation of an ionic Nd coordination polymer. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2022996 | CIF HKL Paper | Ba2 Mn1.71 Te5 Y0.87 | C 1 2/m 1 | 15.1466; 4.5782; 10.606 90; 116.956; 90 | 655.56 | Yadav, Sweta; Prakash, Jai Synthesis and crystal structure of Ba2Y0.87(1)Mn1.71(1)Te5 Acta Crystallographica Section C Structural Chemistry, 2024, 80 |
2312394 | CIF HKL Paper | C22 H32.64 Ag N9 O13.32 S2 | C 2 2 21 | 4.8791; 22.049; 28.256 90; 90; 90 | 3039.8 | Al-Mahamad, Lamia L G; Clegg, William Synthesis and crystal structure of a silver(I) 6-methylmercaptopurine riboside complex. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312508 | CIF HKL Paper | C18 H30 Ca O24 Zn2 | C c c a :2 | 6.9927; 18.934; 20.808 90; 90; 90 | 2755 | Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312583 | CIF HKL Paper | C30 H38 Cl2 Cu3 N16 O13 | C c c a :2 | 13.766; 20.162; 30.654 90; 90; 90 | 8508 | Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312475 | CIF HKL Paper | Ge29.7 Mg22.3 Ni64 | F m -3 m | 11.5036; 11.5036; 11.5036 90; 90; 90 | 1522.3 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Bondaruk, Alina; Ciesielski, Wojciech; Pavlyuk, Volodymyr Crystal, electronic structure and hydrogenation properties of the Mg<sub>5.57</sub>Ni<sub>16</sub>Ge<sub>7.43</sub> cluster phase with a new type of polyhedron. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312396 | CIF Paper | C27 H41 N3 O5 | I 1 2 1 | 40.2744; 5.0976; 27.698 90; 105.729; 90 | 5473.5 | Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 56-61 |
2312518 | CIF Paper | C41 H54 Cu2 O20 | I 1 2/a 1 | 19.4801; 13.0774; 34.5443 90; 97.702; 90 | 8720.7 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312663 | CIF HKL Paper | C17 H18 N6 O2 | I 1 2/a 1 | 13.1498; 12.1582; 20.6224 90; 106.538; 90 | 3160.7 | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312395 | CIF HKL Paper | C52 H40 F4 N4 Pt | I 4/m | 17.1883; 17.1883; 9.1123 90; 90; 90 | 2692.1 | Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K. Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II). Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312554 | CIF HKL Paper | C28 H20 Br5 N6 Sb | I 4/m | 23.8054; 23.8054; 7.3222 90; 90; 90 | 4149.5 | Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312552 | CIF HKL Paper | C52 H56 Cl4 Mn2 O6 P4 | I 41/a :2 | 21.0944; 21.0944; 12.0785 90; 90; 90 | 5374.61 | Li, Jia Wei; Niu, Mengyuan; Feng, Wei; Dong, Wenke; Liu, Yanjie; Yang, Jingjing; Wang, Chunjie; Zhang, Hui; Song, Wei Wu Synthesis, structure and red-light emission of a manganese halide directed by a methyldiphenylphosphine oxide complex. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312367 | CIF HKL Paper | C24 H22 N4 O6 U | P -1 | 8.006; 8.786; 8.833 78.274; 84.648; 74.814 | 586.6 | Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M. Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312393 | CIF HKL Paper | C41 H47 Br F N7 O7 S | P -1 | 12.5755; 12.6649; 14.4336 68.909; 82.733; 75.557 | 2075.3 | Yang, Haiwu; Liang, Minyi; Tian, Fang Crystal structure and Hirshfeld surface analysis of a salt of antineoplastic kinase inhibitor vandetanib. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312419 | CIF HKL Paper | C20 H20 N6 O | P -1 | 9.455; 9.628; 12.023 69.506; 79.904; 66.215 | 937.4 | Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312421 | CIF HKL Paper | C17 H11 Br N6 | P -1 | 8.551; 9.4214; 11.5813 85.894; 70.776; 65.64 | 800.3 | Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312422 | CIF HKL Paper | C17 H11 Cl N6 | P -1 | 8.5105; 9.3681; 10.8959 81.355; 82.482; 67.388 | 790.3 | Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312423 | CIF HKL Paper | C17 H11 F N6 | P -1 | 8.624; 9.503; 10.471 80.312; 81.512; 64.78 | 762.5 | Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312429 | CIF HKL Paper | C20 H14 N2 O4 | P -1 | 7.6186; 9.4985; 11.9173 105.38; 95.005; 93.78 | 824.78 | Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312462 | CIF Paper | C12 H17 N3 O7 S | P -1 | 8.2876; 10.6404; 17.4834 89.734; 84.793; 86.146 | 1531.91 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312464 | CIF Paper | C16 H24 N4 O6 S | P -1 | 8.4933; 13.0977; 17.1657 90.97; 103.18; 95.132 | 1850.43 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312466 | CIF Paper | C12 H11 K N2 O5 S | P -1 | 5.962; 7.2033; 31.929 83.852; 86.361; 88.868 | 1360.5 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312467 | CIF Paper | C12 H14 K N3 O5 S | P -1 | 13.3058; 13.6247; 18.4664 88.373; 73.971; 66.313 | 2933.52 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312471 | CIF HKL Paper | C44 H48 Cl6 Fe3 N16 O | P -1 | 8.9568; 12.8555; 12.8951 116.349; 91.178; 91.622 | 1329.09 | Pacholski, Roman; Durka, Krzysztof; Buchalski, Piotr Synthesis and crystal structure of an iron triazole complex resulting from the unexpected ligand cleavage of a triazolium carbene precursor. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312473 | CIF Paper | C67 H54 B3 Cl2 Dy N12 O6 | P -1 | 12.1461; 16.1883; 17.1795 102.659; 103.322; 95.948 | 3164.6 | Thomas, Jarrod R.; Sulway, Scott A. Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312474 | CIF Paper | C66 H52 B3 Dy N12 O6 | P -1 | 11.72; 11.9389; 21.9139 75.579; 76.715; 86.477 | 2890.2 | Thomas, Jarrod R.; Sulway, Scott A. Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312484 | CIF Paper | C19 H24 N6 O6 | P -1 | 7.5284; 11.2362; 12.2606 85.742; 76.887; 79.803 | 993.5 | González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312485 | CIF Paper | C14 H18 N4 O9 | P -1 | 14.6803; 8.8743; 6.9537 106.922; 96.304; 97.55 | 848.64 | Guerain, Mathieu; Chevreau, Hubert; Guinet, Yannick; Paccou, Laurent; Elkaïm, Erik; Hédoux, Alain Relationship between synthesis method-crystal structure-melting properties in cocrystals: the case of caffeine-citric acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312503 | CIF HKL Paper | C44 H34 Cl2 Mn N6 O10 | P -1 | 8.93282; 12.32698; 18.86081 89.8757; 85.6122; 83.5667 | 2057.68 | Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312510 | CIF Paper | C45 H61 Cu2 N O18 | P -1 | 10.1659; 10.7383; 12.9878 76.132; 69.646; 75.304 | 1267.74 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312511 | CIF Paper | C40 H49 Cu2 Li O24 | P -1 | 9.7711; 10.1924; 12.5863 73.615; 79.528; 83.412 | 1179.87 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312512 | CIF Paper | C43 H56 Cu2 N4 O15 | P -1 | 8.886; 10.702; 12.36 73.13; 73.07; 81.68 | 1073.8 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312514 | CIF Paper | C44 H64 Cu2 N4 O20 | P -1 | 10.4964; 10.6595; 12.3226 97.271; 101.042; 108.13 | 1260.15 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312515 | CIF Paper | C68 H84 Cu2 N4 O21 | P -1 | 10.2155; 12.0897; 15.7111 69.581; 75.988; 79.651 | 1754.64 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312521 | CIF Paper | C4 H4 F6 O6 S2 | P -1 | 10.036; 10.664; 11.276 83.54; 64.178; 89.593 | 1078.2 | Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 278-283 |
2312523 | CIF HKL Paper | C16 H31 Li N2 | P -1 | 6.316; 9.6925; 13.7463 97.336; 99.662; 93.52 | 819.83 | Erickson, Alexander N.; Haltiwanger, Curtis; Rahim, Masoumeh; Garner, Charles M. Preferential crystallization of (±)-pinenyllithium·TMEDA. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 297-301 |
2312525 | CIF HKL Paper | C16 H24 N4 O6 | P -1 | 6.8383; 7.2272; 9.7427 82.921; 76.809; 82.043 | 462.18 | Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 302-310 |
2312528 | CIF HKL Paper | C51 H43 F6 N2 O P3 Ru | P -1 | 11.7657; 14.1033; 14.9728 94.141; 97.381; 111.957 | 2265.6 | Wysocki, Waldemar; Kamecka, Anna; Karczmarzyk, Zbigniew Synthesis and structural characterizations of three carbonyl(α-diimine)hydrido(triphenylphosphine)ruthenium(II) complexes with derivatives of 1,10-phenanthroline. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 319-330 |
2312540 | CIF Paper | C56.5 H51 Br2 Mn2 O4 P2 S2 | P -1 | 10.3309; 10.7727; 13.0821 87.692; 82.138; 62.507 | 1278.93 | Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>]. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312543 | CIF HKL Paper | C25 H20 Cl N3 O6 S | P -1 | 7.489; 8.302; 21.384 93.03; 91.61; 111.17 | 1236.5 | Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312544 | CIF Paper | C14 H12 F2 N2 O2 | P -1 | 3.8047; 11.0101; 15.4968 79.535; 89.223; 82.88 | 633.42 | Sánchez-Pacheco, Addi Dana; Huerta, Eduardo H.; Espinosa-Camargo, Josué Benjamín; Rodríguez-Nájera, Evelyn Valeria; Martínez-Otero, Diego; Hernández-Ortega, Simón; Valdés-Martínez, Jesús Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312546 | CIF Paper | C12 H9 N O5 | P -1 | 3.7001; 12.4583; 22.846 89.55; 86.967; 81.46 | 1040 | Palme, Paul R.; Goddard, Richard; Richter, Adrian; Imming, Peter; Seidel, Rüdiger W 3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312565 | CIF Paper | C16 H19 Br N2 O2 | P -1 | 7.8794; 9.7748; 16.272 104.385; 98.342; 96.386 | 1186.86 | Jaconelli, Harry S.; Kennedy, Alan R. Salt forms of amides: protonation of acetanilide. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312566 | CIF Paper | C16 H19 I3 N2 O2 | P -1 | 7.3766; 8.8131; 9.3226 113.612; 103.144; 104.263 | 500.61 | Jaconelli, Harry S.; Kennedy, Alan R. Salt forms of amides: protonation of acetanilide. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312567 | CIF Paper | C16 H19 B F4 N2 O2 | P -1 | 7.107; 9.5381; 13.3592 98.765; 98.034; 105.977 | 844.555 | Jaconelli, Harry S.; Kennedy, Alan R. Salt forms of amides: protonation of acetanilide. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312569 | CIF HKL Paper | C8 H14 Mn O12 | P -1 | 5.3263; 7.3743; 9.3688 109.863; 104.606; 93.344 | 330.69 | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312570 | CIF HKL Paper | C8 H14 Co O12 | P -1 | 5.2222; 7.3322; 9.2293 109.125; 104.376; 93.224 | 319.76 | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312571 | CIF HKL Paper | C8 H14 Ni O12 | P -1 | 5.178; 7.3254; 9.1449 108.423; 104.583; 92.929 | 315.25 | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312572 | CIF HKL Paper | C8 H14 O12 Zn | P -1 | 5.2307; 7.3259; 9.2246 108.753; 104.626; 93.202 | 320.23 | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312576 | CIF HKL Paper | C20 H20 Cl4 I2 N4 | P -1 | 8.168; 9.129; 9.8118 103.727; 107.165; 112.18 | 594.91 | Bosch, Eric; Bowling, Nathan P. Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312577 | CIF HKL Paper | C20 H20 Br4 I2 N4 | P -1 | 8.3361; 9.3089; 9.8204 102.484; 108.399; 113.064 | 612.84 | Bosch, Eric; Bowling, Nathan P. Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312579 | CIF HKL Paper | C20 H20 Br2 F2 I2 N4 | P -1 | 9.6158; 9.7518; 14.8423 74.473; 85.82; 61.476 | 1175.73 | Bosch, Eric; Bowling, Nathan P. Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312590 | CIF Paper | C57.09 H63.47 Cl0.76 N28 Zr2 | P -1 | 13.9631; 16.7619; 27.3054 86.902; 81.154; 89.969 | 6305.3 | Bikzhanova, Galina A.; Guzei, Ilia A. Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312592 | CIF HKL Paper | C26 H34 Cu N4 O10 | P -1 | 8.1778; 12.3323; 15.9879 69.166; 77.689; 88.572 | 1470.03 | Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312593 | CIF HKL Paper | C26 H32 Cu N4 O9 | P -1 | 11.0826; 11.184; 12.188 86.537; 69.82; 83.261 | 1407.8 | Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312596 | CIF HKL Paper | C14 H10 Ba N2 O10 | P -1 | 7.3856; 8.408; 14.5603 75.415; 76.628; 68.377 | 803.76 | Ding, Xin Yu; Yu, Hai Yan; Zhang, Hong Tao; Wang, Xiao Long A new three-dimensional barium(II) coordination polymer constructed from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structure, Hirshfeld surface analysis and properties. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312597 | CIF HKL Paper | C14 H10 Cd N2 O10 | P -1 | 4.9317; 5.441; 14.014 84.255; 88.521; 87.532 | 373.7 | Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao 2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312607 | CIF Paper | C192 H178 B6 N36 O7 | P -1 | 15.3028; 16.2278; 17.3604 103.045; 105.716; 94.022 | 4003 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312608 | CIF Paper | C30 H17 B N6 O | P -1 | 10.0268; 10.7263; 11.809 85.879; 77.44; 66.151 | 1133.6 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312610 | CIF Paper | C26 H15 B N6 O2 | P -1 | 9.3432; 9.3548; 12.3322 104.203; 100.751; 90.701 | 1024.69 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312613 | CIF Paper | C30 H12 B F5 N6 S | P -1 | 10.701; 11.8651; 22.4968 95.863; 92.861; 115.433 | 2552.1 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312615 | CIF Paper | C31 H20.28 B N7 O0.14 | P -1 | 11.4897; 11.7489; 19.3046 73.348; 81.941; 76.167 | 2417.05 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312621 | CIF HKL Paper | C48 H64 Cu2 O18 | P -1 | 13.3799; 13.7269; 21.7569 83.135; 81.967; 86.064 | 3922.9 | Bermúdez, Mariano Marziali; Muller, Federico G.; Baggio, Ricardo; Cukiernik, Fabio D. Synthesis, crystal structure, magnetic behaviour and thermal stability of a paddle-wheel copper(II) complex bearing equatorial 3,4-diethoxybenzoate ligands. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312650 | CIF HKL Paper | C14 H16 N6 O2 | P -1 | 11.5487; 11.5859; 11.9737 69.595; 73.659; 74.862 | 1417 | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312651 | CIF HKL Paper | C9 H10 Br N5 O2 S | P -1 | 8.4348; 10.5501; 14.0931 77.558; 86.82; 78.896 | 1201.61 | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312652 | CIF HKL Paper | C9 H10 Cl N5 O2 S | P -1 | 8.3306; 10.4403; 14.0361 78.406; 87.357; 78.608 | 1172.28 | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312658 | CIF Paper | C34 H26 Fe S4 | P -1 | 8.4836; 10.3028; 16.721 90.73; 103.948; 94.999 | 1412.15 | Blockhaus, Tobias; Sünkel, Karlheinz Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312659 | CIF HKL Paper | C28 H24 N4 O4 S2 Zn2 | P -1 | 8.3263; 9.011; 9.8712 63.454; 84.9942; 80.5169 | 653.41 | Anaya-Avila, Odalys; Muñoz-Granados, Oscar; Andrade-López, Noemí; Alvarado-Rodríguez, José G; Martínez-Otero, Diego Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312661 | CIF HKL Paper | C46 H38 N5 O4 S3 Zn2 | P -1 | 10.7102; 13.1376; 17.1385 100.87; 101.489; 110.186 | 2129.46 | Anaya-Avila, Odalys; Muñoz-Granados, Oscar; Andrade-López, Noemí; Alvarado-Rodríguez, José G; Martínez-Otero, Diego Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312662 | CIF HKL Paper | C10 H19 N5 O4 | P -1 | 8.2507; 8.587; 10.6398 105.438; 109.18; 94.887 | 673.83 | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312664 | CIF HKL Paper | C11 H15 N5 O3 S | P -1 | 6.8382; 8.3657; 12.5848 92.727; 104.992; 99.194 | 683.5 | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312582 | CIF HKL Paper | C15 H3 F18 Fe O6 | P -3 | 18.1141; 18.1141; 11.7136 90; 90; 120 | 3328.55 | Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V. Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals? Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312561 | CIF Paper | C H4 N2 O | P -4 21 m | 5.596; 5.596; 4.7164 90; 90; 90 | 147.7 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
2312562 | CIF Paper | C H4 N2 O | P -4 21 m | 5.596; 5.596; 4.7164 90; 90; 90 | 147.7 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
2312385 | CIF HKL Paper | C10 H13 N5 O3 | P 1 | 5.2027; 8.9738; 12.3715 78.249; 83.171; 76.338 | 547.97 | Leonard, Peter; Zhang, Aigui; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank α-D-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 21-29 |
2312655 | CIF Paper | C31 H28 Fe O3 S3 | P 1 | 7.8298; 9.8573; 17.4937 93.379; 91.12; 98.051 | 1334.02 | Blockhaus, Tobias; Sünkel, Karlheinz Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2023209 | CIF HKL Paper | C17 H18 N6 | P 1 21 1 | 8.711; 19.5857; 18.9372 90; 90.857; 90 | 3230.53 | Peng, Ziyu; Ye, Long Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate Acta Crystallographica Section C Structural Chemistry, 2024, 80 |
2312430 | CIF HKL Paper | C13 H13 N3 O4 | P 1 21 1 | 8.2555; 6.752; 11.8096 90; 90.573; 90 | 658.25 | Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312461 | CIF Paper | C12 H13 N3 O4 S | P 1 21 1 | 5.8163; 6.9218; 15.6295 90; 93.354; 90 | 628.154 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312522 | CIF Paper | C3 H2 F6 O6 S2 | P 1 21 1 | 8.9822; 4.9413; 10.94 90; 102.406; 90 | 474.22 | Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 278-283 |
2312532 | CIF HKL Paper | C18 H34 N2 O12 | P 1 21 1 | 4.7599; 14.3223; 16.6515 90; 90.022; 90 | 1135.18 | Shit, Pradip; Tetrault, Timothy; Zhang, Wenhui; Yoon, Mi Kyung; Oliver, Allen G.; Serianni, Anthony S. Conformational disorder in the crystal structure of methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside (methyl β-chitobioside) methanol monosolvate. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 331-336 |
2312653 | CIF Paper | C24 H22 Fe O2 S2 | P 1 21 1 | 7.8964; 12.9064; 11.0124 90; 109.467; 90 | 1058.16 | Blockhaus, Tobias; Sünkel, Karlheinz Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312654 | CIF Paper | C24 H22 Fe O2 S2 | P 1 21 1 | 17.1882; 6.0383; 20.4271 90; 95.995; 90 | 2108.5 | Blockhaus, Tobias; Sünkel, Karlheinz Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312656 | CIF Paper | C41 H40 Fe O5.5 S4 | P 1 21 1 | 12.8893; 8.2225; 36.5 90; 97.106; 90 | 3838.6 | Blockhaus, Tobias; Sünkel, Karlheinz Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312418 | CIF HKL Paper | C29 H21 Br N4 O5 Zn | P 1 21/c 1 | 9.73; 16.52; 17.649 90; 103.19; 90 | 2762 | Wang, Yan; Cheng, Wei Wei; Mou, Yi; Wen, Shuai; Wang, Dongkai; Xue, Yun Shan A twofold interpenetrated two-dimensional zinc(II) coordination polymer for the highly sensitive detection of nitrofurantoin in aqueous medium. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312458 | CIF HKL Paper | C22 H22 N2 O2 | P 1 21/c 1 | 12.8456; 5.5803; 16.7446 90; 132.566; 90 | 884.01 | Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya Three polymorphs of a new N,N'-dipropylated isoindigo derivative. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312460 | CIF HKL Paper | C22 H22 N2 O2 | P 1 21/c 1 | 15.0486; 9.1347; 18.5227 90; 136.112; 90 | 1765.16 | Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya Three polymorphs of a new N,N'-dipropylated isoindigo derivative. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312472 | CIF Paper | C68 H56 B3 Ce Cl4 N12 O6 | P 1 21/c 1 | 11.2742; 27.1355; 21.3644 90; 90.166; 90 | 6536 | Thomas, Jarrod R.; Sulway, Scott A. Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
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