Crystallography Open Database
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Searching journal of publication like 'crystengcomm'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7251280 | CIF | C22 H27 N3 O | P -1 | 5.821; 11.178; 16.211 72.8; 79.81; 75.36 | 968.9 | Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K. Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals CrystEngComm, 2025 |
| 7251281 | CIF | C23 H29 N3 O | P 1 21/c 1 | 5.797; 7.406; 46.464 90; 93.23; 90 | 1991.7 | Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K. Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals CrystEngComm, 2025 |
| 7251282 | CIF | C16 H15 N3 O | P -1 | 5.95; 18.537; 19.114 73.39; 87.85; 88.91 | 2018.7 | Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K. Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals CrystEngComm, 2025 |
| 7251283 | CIF | C20 H23 N3 O | P 1 21/n 1 | 5.818; 7.441; 40.745 90; 92.78; 90 | 1761.8 | Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K. Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals CrystEngComm, 2025 |
| 7251284 | CIF | C19 H21 N3 O | P 1 21/n 1 | 5.812; 7.468; 37.455 90; 93.01; 90 | 1623.5 | Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K. Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals CrystEngComm, 2025 |
| 7251285 | CIF | C24 H31 N3 O | P 1 21/c 1 | 5.811; 7.367; 49.55 90; 93.1; 90 | 2118.1 | Thakur, Jyoti Swarup; Dash, Omkar; Bhale, Nagesh A.; Mondal, Pradip Kumar; Dikundwar, Amol Gopalrao; Polentarutti, Maurizio; Nayak, Susanta K. Structural and computational study of reversibly photo switchable (E)-4-((4-alkoxyphenyl)diazenyl)benzonitrile based liquid crystals CrystEngComm, 2025 |
| 7251286 | CIF | C31 H21 F21 O5 S Te | P -1 | 12.3302; 12.3606; 13.6476 85.327; 64.419; 83.563 | 1863.02 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251287 | CIF | C72 H53 B F42 O4 Te | P -1 | 19.5618; 20.8276; 21.5393 97.224; 105.154; 112.516 | 7569.6 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251288 | CIF | C62 H29 B Cl2 F42 N2 Te | P -1 | 14.99; 16.789; 17.126 108.699; 107.411; 107.874 | 3487 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251289 | CIF | C64 H45 B F42 O4 S4 Te | P 1 | 12.5599; 12.6907; 14.1026 76.029; 75.037; 64.109 | 1932.1 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251290 | CIF | C64 H45 B F42 O4 S4 Te | P 1 21/n 1 | 14.3825; 31.2001; 17.7186 90; 108.908; 90 | 7521.9 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251291 | CIF | C61 H27 B Cl2 F42 N2 Te | P -1 | 14.7696; 16.7718; 17.1031 109.129; 108.099; 107.353 | 3406.3 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251292 | CIF | C72 H45 B Cl2 F42 N3 Te | P -1 | 13.4842; 16.5143; 17.9535 93.388; 94.153; 98.039 | 3938.5 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251293 | CIF | C72 H56 B Cl F42 N3 O6 Te en lv so t | P -1 | 13.0176; 15.0572; 22.0361 95.134; 94.794; 100.996 | 4200.5 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251294 | CIF | C68 H33 B Cl4 F42 N4 Te | P b c a | 17.7129; 23.8886; 36.3698 90; 90; 90 | 15389.4 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251295 | CIF | C64 H33 B F42 N4 Te | P 1 21/c 1 | 38.275; 17.6108; 20.7058 90; 94.238; 90 | 13918.7 | Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions CrystEngComm, 2025 |
| 7251296 | CIF | C36 H53.5 N4 Ni2 O19.75 | P 1 21/c 1 | 9.841; 19.441; 23.234 90; 98.01; 90 | 4402 | Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer CrystEngComm, 2025 |
| 7251297 | CIF | C36 H46.25 N4 Ni2 O16.12 | C 1 c 1 | 9.9528; 19.424; 23.595 90; 99.347; 90 | 4500.9 | Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer CrystEngComm, 2025 |
| 7251298 | CIF | C36 H53.5 N4 Ni2 O19.75 | P 1 21/c 1 | 9.87; 19.429; 23.223 90; 98.06; 90 | 4409 | Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer CrystEngComm, 2025 |
| 7251319 | CIF | C36 H30 Cl2 N2 O6 | P 1 21/n 1 | 15.6728; 8.5913; 23.4511 90; 92.606; 90 | 3154.42 | George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal CrystEngComm, 2025 |
| 7251320 | CIF | C36 H30 Cl2 N2 O6 | P 1 21/n 1 | 15.6977; 8.6067; 23.4697 90; 92.652; 90 | 3167.49 | George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal CrystEngComm, 2025 |
| 7251321 | CIF | C36 H30 Cl2 N2 O6 | P 1 21/n 1 | 15.7987; 8.6606; 23.5163 90; 92.823; 90 | 3213.74 | George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal CrystEngComm, 2025 |
| 7251322 | CIF | C36 H30 Cl2 N2 O6 | P 1 21/n 1 | 15.727; 8.6245; 23.4866 90; 92.696; 90 | 3182.14 | George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal CrystEngComm, 2025 |
| 7251323 | CIF | C36 H30 Cl2 N2 O6 | P 1 21/n 1 | 15.7598; 8.6427; 23.5008 90; 92.75; 90 | 3197.29 | George, Gary C.; Owens, Drew; Osbourn, Damon M.; Hutchins, Kristin M.; Groeneman, Ryan Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal CrystEngComm, 2025 |
| 7251324 | CIF | C19 H24 N2 O5 | P 1 21/c 1 | 12.136; 9.124; 17.679 90; 99.308; 90 | 1931.8 | Natarajan, Architha; Karuppannan, Srinivasan Discovery of a Novel Acetone Hemisolvate of Metacetamol via Swift Cooling Crystallization CrystEngComm, 2025 |
| 7251325 | CIF | C14 H10 Cl F5 | P -1 | 6.5505; 7.319; 14.688 89.116; 102.483; 94.488 | 685.43 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251326 | CIF | C14 H10 Cl2 F4 | P -1 | 6.462; 7.4574; 15.1315 90.38; 100.429; 94.132 | 715.13 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251327 | CIF | C14 H10 Cl F5 | P -1 | 6.2099; 7.4687; 7.9874 109.801; 99.549; 95.567 | 339 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251328 | CIF | C10 H5 F5 I | P -1 | 6.0419; 8.9855; 9.989 74.629; 89.584; 89.675 | 522.88 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251329 | CIF | C14 H10 Br2 F4 | C 1 2/m 1 | 8.4576; 8.3594; 9.8748 90; 92.357; 90 | 697.56 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251330 | CIF | C12 H6 F4 I2 | C 1 2/m 1 | 8.6866; 7.1907; 10.5364 90; 90.058; 90 | 658.13 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251331 | CIF | C14 H10 Cl F5 | P -1 | 6.1383; 7.4411; 7.9224 111.378; 99.662; 95.159 | 327.65 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251332 | CIF | C14 H10 Br F5 | P 1 21/n 1 | 9.0813; 15.2034; 9.8653 90; 99.229; 90 | 1344.44 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251333 | CIF | C14 H10 Cl2 F4 | P -1 | 6.3455; 7.5012; 7.7599 109.37; 98.59; 90.299 | 343.95 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251334 | CIF | C14 H10 F4 I2 | C 1 2/m 1 | 8.514; 8.5541; 10.2442 90; 93.45; 90 | 744.73 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251335 | CIF | C14 H10 Cl2 F4 | P 1 1 21/n | 14.83539; 7.90142; 5.98834 90; 90; 96.4553 | 697.507 | Bear, Joseph C.; Cockcroft, Jeremy Karl; Rosu-Finsen, Alexander; Williams, Jeffrey Huw Exploring non-covalent interactions in binary aromatic complexes CrystEngComm, 2025 |
| 7251336 | CIF | C7 H9 N9 O4 S | P 1 21/c 1 | 18.0728; 9.942; 7.1151 90; 93.425; 90 | 1276.16 | Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L. New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs CrystEngComm, 2025 |
| 7251337 | CIF | C6 H8 N12 O3 | C 1 c 1 | 3.83694; 17.9329; 16.51337 90; 94.2871; 90 | 1133.06 | Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L. New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs CrystEngComm, 2025 |
| 7251338 | CIF | C5 H5 K2 N9 O5 | P -1 | 6.9975; 8.944; 11.0111 66.363; 86.447; 75.934 | 611.9 | Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L. New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs CrystEngComm, 2025 |
| 7251339 | CIF | C5 H3 N9 O3 | C 1 2/c 1 | 18.3967; 7.1759; 13.5983 90; 110.355; 90 | 1683.05 | Stebletsova, Irina; Larin, Alexander; Vinogradov, Dmitry B.; Pivkina, Alla N.; Leonov, Nikita E.; Gazieva, Galina A.; Fershtat, Leonid L. New thermally stable and friction-insensitive nitrogen-rich salts: a synergy of 1,2,4-triazole, furoxan and hydroxytetrazole motifs CrystEngComm, 2025 |
| 7251343 | CIF | Be Cd F4 H8 O4 | C 1 2/c 1 | 9.4891; 6.3751; 10.7541 90; 105.248; 90 | 627.66 | Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M. When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2 CrystEngComm, 2025, 27, 6926-6933 |
| 7251344 | CIF | C2 H22 Be2 Cd F8 N2 O6 | P 1 21/n 1 | 8.2702; 7.0248; 13.162 90; 101.71; 90 | 748.75 | Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M. When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2 CrystEngComm, 2025, 27, 6926-6933 |
| 7251345 | CIF | C76 H55 Br5 N12 Ni2 O5 | P 1 21 1 | 11.6985; 21.9295; 14.1729 90; 106.199; 90 | 3491.6 | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro CrystEngComm, 2025 |
| 7251346 | CIF | C36.29 H25.85 Br2 N8.15 Ni O2.71 | P -1 | 10.3827; 13.1468; 13.822 71.199; 80.71; 68.42 | 1658.86 | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro CrystEngComm, 2025 |
| 7251347 | CIF | C38 H27 Br2 Cl N6 Ni O2 | P 1 21/n 1 | 11.7229; 21.9885; 14.3111 90; 105.77; 90 | 3550.1 | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro CrystEngComm, 2025 |
| 7251348 | CIF | C38 H26 Br2 N6 Ni O2 | P 1 21/n 1 | 10.3969; 22.1306; 14.8113 90; 104.593; 90 | 3298 | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro CrystEngComm, 2025 |
| 7251349 | CIF | C36 H25 Br2 N9 Ni O5 | P 1 21/n 1 | 11.6612; 22.5022; 14.1199 90; 105.387; 90 | 3572.3 | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro CrystEngComm, 2025 |
| 7251350 | CIF | C38 H27 Br2 N7 Ni O5 | P 1 21/n 1 | 11.839; 22.1899; 14.4233 90; 107.183; 90 | 3620 | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro CrystEngComm, 2025 |
| 7251354 | CIF | Ca3 Ge3 O9 | P -1 | 7.2858; 7.5501; 8.1252 103.497; 94.404; 90.088 | 433.241 | Zhang, Hengyuan; Wu, Jipeng; Ma, Yidong; Chen, Feifei; Zhao, Xian Single-Crystal Ca₃Ge₃O₉ Calcium Germanate: Structure, Thermal and Optical Properties from Experiment and First-Principles CrystEngComm, 2025 |
| 7251355 | CIF | C78 H105 I33 N12 O4 Sb4 | C 1 2 1 | 16.9204; 14.3689; 29.1546 90; 105.236; 90 | 6839.1 | Shentseva, Irina; Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Adonin, Sergey A. New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts CrystEngComm, 2025 |
| 7251356 | CIF | C78 H105 Bi4 I33 N12 O4 | C 1 2/c 1 | 16.913; 14.4492; 56.667 90; 91.534; 90 | 13843 | Shentseva, Irina; Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Adonin, Sergey A. New iodine-rich Group 15 iodometalates(III): self-assembly of metal halide anions and polyiodides into supramolecular architectures via I···I contacts CrystEngComm, 2025 |
| 7251357 | CIF | C38 H44 Cl4 Dy2 N8 O4 | P -1 | 11.1619; 11.1679; 11.4098 86.868; 60.809; 75.3 | 1196.98 | Zhong, Fu-Hui; Liu, Chen-Yang; Zheng, Xiao-Yue; Cao, Chen; Peng, Yan; Hu, Zhao-Bo; Liu, Sui-Jun; Wen, He-Rui Base and Anion Regulated Synthesis of Dysprosium Compounds CrystEngComm, 2025 |
| 7251358 | CIF | C40 H42 Dy2 F12 N8 O16 S4 | P -1 | 8.3012; 12.6353; 14.2845 68.395; 83.588; 75.922 | 1350.77 | Zhong, Fu-Hui; Liu, Chen-Yang; Zheng, Xiao-Yue; Cao, Chen; Peng, Yan; Hu, Zhao-Bo; Liu, Sui-Jun; Wen, He-Rui Base and Anion Regulated Synthesis of Dysprosium Compounds CrystEngComm, 2025 |
| 7251359 | CIF | C18 H18 Dy N7 O9 | P 1 21/n 1 | 8.999; 15.0419; 17.1711 90; 95.888; 90 | 2312.1 | Zhong, Fu-Hui; Liu, Chen-Yang; Zheng, Xiao-Yue; Cao, Chen; Peng, Yan; Hu, Zhao-Bo; Liu, Sui-Jun; Wen, He-Rui Base and Anion Regulated Synthesis of Dysprosium Compounds CrystEngComm, 2025 |
| 7251386 | CIF | C16 H14 N4 O4 | P b c n | 12.68; 11.488; 20.223 90; 90; 90 | 2946 | Junior, Ronaldo Gonçalves de Freitas; Duarte, Vitor; Almeida, Leonardo R.; Santana Wenceslau, Patricia Rafaella; Aquino, Gilberto Benedito; Valverde, Clodoaldo; Napolitano, Hamilton Comprehensive Structural Insights into Nitro-Substituted Azines as Potential Antioxidant Additives for Biodiesel CrystEngComm, 2025 |
| 7251387 | CIF | C15 H13 N3 O2 | P -1 | 9.324; 9.384; 9.575 105.669; 105.283; 116.786 | 643.68 | Junior, Ronaldo Gonçalves de Freitas; Duarte, Vitor; Almeida, Leonardo R.; Santana Wenceslau, Patricia Rafaella; Aquino, Gilberto Benedito; Valverde, Clodoaldo; Napolitano, Hamilton Comprehensive Structural Insights into Nitro-Substituted Azines as Potential Antioxidant Additives for Biodiesel CrystEngComm, 2025 |
| 7251388 | CIF | C19 H22 Cl N3 O6 S | P 21 21 21 | 5.0757; 19.3352; 20.7883 90; 90; 90 | 2040.2 | Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B. Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide CrystEngComm, 2025 |
| 7251389 | CIF | C19 H20 Cl N3 O5 S | P 1 21/n 1 | 14.1621; 9.6366; 14.7725 90; 100.799; 90 | 1980.37 | Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B. Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide CrystEngComm, 2025 |
| 7251390 | CIF | C17 H18 Cl N3 O6 S | P -1 | 5.2827; 11.54; 16.446 69.81; 85.87; 79.15 | 924.1 | Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B. Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide CrystEngComm, 2025 |
| 7251391 | CIF | C18 H18 Cl N3 O5 S | P -1 | 8.4206; 10.9902; 12.1116 63.633; 70.787; 78.213 | 946.08 | Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B. Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide CrystEngComm, 2025 |
| 7251392 | CIF | C18 H18 Cl N3 O5 S | P -1 | 7.2607; 11.1014; 12.511 107.297; 91.11; 101.344 | 940.75 | Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B. Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide CrystEngComm, 2025 |
| 7251393 | CIF | C8 H19 N O8 | P 1 21/c 1 | 17.7514; 5.68736; 13.0019 90; 110.823; 90 | 1226.91 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251394 | CIF | C15 H15 Cl N2 O7 | P -1 | 8.3098; 9.6361; 10.8666 96.5031; 106.955; 101.119 | 803.26 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251395 | CIF | C11 H17 N3 O6 | P -1 | 5.5781; 9.1736; 25.93 91.052; 92.193; 90.552 | 1325.6 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251396 | CIF | C15 H14 N2 O5 S | P c a 21 | 14.34; 13.802; 14.671 90; 90; 90 | 2904 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251397 | CIF | C20 H26 N2 O11 | P 1 21/c 1 | 12.3917; 11.7324; 14.9593 90; 100.549; 90 | 2138.09 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251398 | CIF | C9 H10 N O4 | P -1 | 6.6096; 7.0278; 11.2902 72.9234; 74.834; 69.87 | 463.1 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251399 | CIF | C20 H38 N2 O16 | P -1 | 8.6376; 9.5114; 15.9873 79.9178; 80.8899; 88.4671 | 1276.85 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251400 | CIF | C16 H36 N2 O15 | C 1 2/c 1 | 30.203; 5.6916; 14.254 90; 99.433; 90 | 2417.2 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251401 | CIF | C8 H9 N O2 | P n a 21 | 13.6402; 8.6125; 6.3343 90; 90; 90 | 744.13 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251402 | CIF | C13 H13 N3 O6 | P -1 | 5.8889; 10.2677; 11.2466 102.25; 93.673; 91.141 | 662.79 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251403 | CIF | C36 H60.19 N3 O16.6 | P -1 | 7.5263; 12.781; 21.505 77.876; 88.418; 79.491 | 1988.5 | Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms CrystEngComm, 2026 |
| 7251407 | CIF | C5 H9 N3 O3 | P -1 | 4.1764; 7.4068; 12.223 90.144; 97.506; 91.316 | 374.76 | Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V. Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis CrystEngComm, 2025, 27, 7721-7733 |
| 7251408 | CIF | C5 H9 N3 O3 | F d d 2 | 36.4109; 23.9057; 7.0463 90; 90; 90 | 6133.3 | Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V. Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis CrystEngComm, 2025, 27, 7721-7733 |
| 9017408 | CIF | C Ca O3 | P 65 | 7.112; 7.112; 25.4089 90; 90; 120 | 1113.01 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017409 | CIF | C Ca O3 | P 32 2 1 | 7.1239; 7.1239; 25.3203 90; 90; 120 | 1112.85 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017410 | CIF | C Ca O3 | A m a 2 | 8.4905; 6.3905; 4.5026 90; 90; 90 | 244.305 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
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