Crystallography Open Database
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Searching journal of publication like 'CrystEngComm'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7250805 | CIF | C18 H31 Br2 N3 | P 1 21/n 1 | 12.8442; 8.7712; 19.1298 90; 107.671; 90 | 2053.46 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250806 | CIF | C43 H62 B2 F8 N4 S8 | P -1 | 12.0536; 14.2355; 15.5369 71.122; 78.938; 80.513 | 2460.49 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250807 | CIF | C18 H20 B D7 F4 N2 | P n m a | 12.1978; 11.4803; 12.6584 90; 90; 90 | 1772.61 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250808 | CIF | C15 H19 B Cl2 F4 N2 S2 | C 1 2/m 1 | 11.3768; 12.6149; 13.7199 90; 97.067; 90 | 1954.08 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250809 | CIF | C19 H27 N3 S | P n m a | 12.0279; 11.5143; 12.8178 90; 90; 90 | 1775.17 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250810 | CIF | C14 H17 B F4 N2 Se2 | P 1 21/c 1 | 14.7071; 7.754; 15.6954 90; 111.348; 90 | 1667.1 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250811 | CIF | C16 H23 B F4 N2 S2 | P -1 | 7.7857; 8.4721; 14.0062 86.404; 76.855; 81.59 | 889.57 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250812 | CIF | C18 H27 B F4 N2 S2 | P -1 | 10.0876; 10.7862; 11.0225 106.729; 108.33; 104.687 | 1009.18 | Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V. Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium CrystEngComm, 2025, 27, 6163-6173 |
| 7250817 | CIF | C14 H8 N2 O8 Sr | C 1 2/c 1 | 15.7628; 11.1236; 8.4309 90; 99.61; 90 | 1457.52 | Hayat, Mohd Umar; Khalid, Mohd; Kamal, Samrah; Shahid, M.; Ahmad, Musheer Fabrication of a 3D Sr-based metal–organic framework bearing ant topology for highly efficient iodine capture in solution and vapor phases CrystEngComm, 2025, 27, 6639-6651 |
| 7250819 | CIF | C21 H32 N O2 P S2 | P 21 21 21 | 12.713; 12.93; 14.0951 90; 90; 90 | 2316.94 | Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K. Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates CrystEngComm, 2025, 27, 6386-6396 |
| 7250820 | CIF | C56 H56 O8 P4 Pb2 S8 | P 1 21/n 1 | 10.3663; 23.2716; 13.824 90; 103.996; 90 | 3235.9 | Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K. Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates CrystEngComm, 2025, 27, 6386-6396 |
| 7250826 | CIF | C34 H23 N O S | C 1 c 1 | 10.0521; 16.6181; 15.0137 90; 94.785; 90 | 2499.2 | Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour CrystEngComm, 2025, 27, 6502-6507 |
| 7250827 | CIF | C37 H23 N3 S | P -1 | 8.921; 9.4764; 16.5104 94.16; 92.552; 94.443 | 1386.15 | Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour CrystEngComm, 2025, 27, 6502-6507 |
| 7250845 | CIF | C62 H71 Cl3 Co2 F24 N8 O18 | P 1 21/c 1 | 12.7086; 34.9069; 18.9598 90; 96.151; 90 | 8362.5 | Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties CrystEngComm, 2025, 27, 6462-6472 |
| 7250846 | CIF | C17 H14 N2 O8 | P -1 | 8.4632; 9.8218; 10.1702 101.627; 93.54; 90.027 | 826.39 | Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties CrystEngComm, 2025, 27, 6462-6472 |
| 7250847 | CIF | C62 H71 Cl3 F24 N8 Ni2 O18 | P 1 21/c 1 | 12.6913; 34.918; 18.906 90; 95.976; 90 | 8332.8 | Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties CrystEngComm, 2025, 27, 6462-6472 |
| 7250852 | CIF | C6 H7 I4 N Te | P 1 21/n 1 | 10.118; 12.748; 10.628 90; 93.894; 90 | 1367.7 | Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4 CrystEngComm, 2025, 27, 6373-6380 |
| 7250853 | CIF | C18 H32 Cl6 N2 Si2 Te | P 1 21/c 1 | 10.386; 11.375; 12.532 90; 101.156; 90 | 1452.6 | Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4 CrystEngComm, 2025, 27, 6373-6380 |
| 7250854 | CIF | C12 H17 Cl5 N2 O Te | P -1 | 7.0094; 8.4902; 15.6462 88.97; 86.6; 81.048 | 918.13 | Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4 CrystEngComm, 2025, 27, 6373-6380 |
| 7250863 | CIF | C12 H15 N O5 | P 21 21 21 | 5.9429; 11.8071; 18.0729 90; 90; 90 | 1268.15 | Karthick, Subramani; Li, Bing-Xiang; Sridhar, Balasubramanian; Aya, Satoshi; Brahadeeswaran, Srinivasan Pyrrolidin-1-ium-2-carboxylate·4-hydroxybenzoic acid co-crystal: a novel phase-matchable acentric organic material for efficient second-harmonic generation CrystEngComm, 2025, 27, 6449-6461 |
| 7250867 | CIF | C14 H9 I | P 1 2 1 | 7.5797; 5.9809; 52.204 90; 91.697; 90 | 2365.5 | Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems CrystEngComm, 2025, 27, 6735-6741 |
| 7250868 | CIF | C15 H11 I O | P c a 21 | 6.1455; 7.4012; 28.5289 90; 90; 90 | 1297.61 | Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems CrystEngComm, 2025, 27, 6735-6741 |
| 7250869 | CIF | C14 H5 F4 I | P 1 21/n 1 | 12.9207; 5.0801; 19.1219 90; 94.046; 90 | 1252 | Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems CrystEngComm, 2025, 27, 6735-6741 |
| 7250870 | CIF | C45 H68 Co N O16 | P 42/n m c :2 | 15.239; 15.239; 22.553 90; 90; 90 | 5237.4 | Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904 |
| 7250871 | CIF | C82 H77 Co2 N2 O16 | P 42/n m c :2 | 15.243; 15.243; 45.096 90; 90; 90 | 10478 | Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904 |
| 7250872 | CIF | C123 H109 Co3 N9 O18 | C 1 2/c 1 | 57.238; 19.7412; 23.0425 90; 109.198; 90 | 24588.8 | Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904 |
| 7250873 | CIF | C144 H135 Co3 N12 O21 | C 1 2/c 1 | 57.02; 20.59; 22.286 90; 108.37; 90 | 24831 | Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks CrystEngComm, 2025, 27, 6894-6904 |
| 7250874 | CIF | C62 H44 F12 N4 | P -1 | 8.2; 18.575; 18.646 104.466; 93.783; 90.299 | 2743 | Tang, Baolei; Yang, Xuesong; Chen, Donghe; Hu, Hanlin; Zhang, Hongyu Reversible mechanochromism and polarization modulation in an elastic organic crystal CrystEngComm, 2025, 27, 6606-6610 |
| 7250875 | CIF | C8 H11 B F4 N2 O2 | P 1 21 1 | 5.0698; 14.565; 14.099 90; 97.056; 90 | 1033.2 | Wojtaś, Maciej; Gągor, Anna; Bdikin, Igor; Kopyl, Svitlana Crystal structure and piezoelectric properties of the final member of the pyridylalanine derivative series: [H-β-(3-pyridyl)-Ala-OH][BF4] CrystEngComm, 2025, 27, 6679-6686 |
| 7250878 | CIF | C18 H38 Ce2 O31 | P -1 | 10.88688; 10.93543; 15.2453 83.732; 85.3678; 84.0042 | 1789.85 | Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I. Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework CrystEngComm, 2025, 27, 6797-6804 |
| 7250879 | CIF | C52.989 H46.307 Ce4 N4.33 O37.33 | P 1 21/n 1 | 14.8474; 26.6474; 17.9757 90; 112.784; 90 | 6557 | Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I. Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework CrystEngComm, 2025, 27, 6797-6804 |
| 7250880 | CIF | C52 H48 Au4 N4 S4 | P 1 21/c 1 | 20.5871; 12.3929; 21.3684 90; 112.548; 90 | 5035.1 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250881 | CIF | C17 H14 Au N S | R -3 :H | 31.221; 31.221; 8.542 90; 90; 120 | 7210.81 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250882 | CIF | C15 H14 Au N | P 1 21/c 1 | 11.3366; 18.9708; 12.8686 90; 110.132; 90 | 2598.48 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250883 | CIF | C15 H14 Au N | P -1 | 10.1311; 11.8564; 17.3656 100.14; 98.615; 101.681 | 1973.27 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250884 | CIF | C17 H14 Au N S | P 1 21/n 1 | 7.708; 19.172; 10.066 90; 93.112; 90 | 1485.3 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250885 | CIF | C13 H12 Au N S | P 1 21/n 1 | 11.8718; 20.3094; 15.884 90; 99.929; 90 | 3772.4 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250886 | CIF | C39 H36 Au3 N3 S3 | P -1 | 9.9569; 11.6078; 17.3895 100.341; 97.326; 103.953 | 1887.9 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250887 | CIF | C17 H14 Au N S2 | P -1 | 9.081; 17.316; 18.171 114.577; 98.055; 102.895 | 2443.9 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250888 | CIF | C51 H42 Au3 N3 S3 | P -1 | 11.0862; 14.95; 15.372 64.989; 80.55; 79.057 | 2256.7 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250889 | CIF | C13 H12 Au N S | P -1 | 11.6478; 21.7736; 25.2892 113.938; 100.457; 90.668 | 5738.7 | Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G. Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions CrystEngComm, 2025, 27, 7021-7031 |
| 7250896 | CIF | C48 H26 N8 | P -1 | 6.645; 11.421; 15.338 80.34; 82.07; 88.74 | 1136.6 | Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives CrystEngComm, 2025, 27, 7081-7093 |
| 7250897 | CIF | C63 H39 I2 N9 O3 Sn | P -1 | 14.5583; 14.6841; 16.1918 68.874; 70.185; 62.069 | 2791.2 | Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives CrystEngComm, 2025, 27, 7081-7093 |
| 7250898 | CIF | C68 H46 I2 N10 O6 Sn | P -1 | 7.719; 12.2333; 17.0991 73.879; 80.487; 75.715 | 1495.05 | Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives CrystEngComm, 2025, 27, 7081-7093 |
| 7250899 | CIF | C8 H7 N O3 | P 1 c 1 | 8.0401; 3.8577; 11.7923 90; 90.148; 90 | 365.75 | Mathew, Ansu; Karuppannan, Srinivasan Influence of degraded 1,4-dioxane on the formylation of para-aminobenzoic acid: a pathway to the reactive crystallization of para-formamidobenzoic acid CrystEngComm, 2025, 27, 7071-7080 |
| 7250903 | CIF | C16 H11 F3 O2 | P 1 21/n 1 | 7.6889; 11.4309; 30.912 90; 94.589; 90 | 2708.2 | Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M. Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis CrystEngComm, 2025, 27, 6781-6796 |
| 7250904 | CIF | C15 H11 F O2 | P 21 21 21 | 7.1384; 12.7929; 12.9301 90; 90; 90 | 1180.79 | Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M. Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis CrystEngComm, 2025, 27, 6781-6796 |
| 7250905 | CIF | C2 H8 F2 N O4 P Zr | P 1 21/m 1 | 6.5946; 6.5775; 9.962 90; 98.763; 90 | 427.07 | Chen, Ziyuan; Liu, Shuzhen; Li, Shuangjiang; Chen, Zhihua; Yang, Lu; Zhang, Shengmao; Sun, Haiyan; Feng, Meiling; Huang, Xiaoying Efficient capture of Sr2+ ions by a layered crystalline zirconium phosphate fluoride CrystEngComm, 2025, 27, 7063-7070 |
| 7250929 | CIF | C21 H27 N3 O12 Tb | P -1 | 10.4787; 10.9459; 12.6061 104.133; 108.619; 97.17 | 1296.01 | Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation CrystEngComm, 2025, 27, 7228-7236 |
| 7250930 | CIF | C22 H31.4 N2 O12.7 Tb | C 1 2/c 1 | 27.737; 10.588; 22.263 90; 99.577; 90 | 6447 | Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation CrystEngComm, 2025, 27, 7228-7236 |
| 7250931 | CIF | C44 H61 N5 O25 Tb2 | P -1 | 11.2214; 14.5112; 18.8206 94.384; 106.455; 110.71 | 2695.4 | Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation CrystEngComm, 2025, 27, 7228-7236 |
| 7250932 | CIF | C73 H67 N4 O8 Tb | P 21 21 21 | 17.0372; 17.9771; 21.5515 90; 90; 90 | 6600.8 | Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands CrystEngComm, 2025, 27, 7213-7218 |
| 7250933 | CIF | C118 H104 N4 O16 Tb2 | P 1 21 1 | 13.8331; 20.3348; 20.2449 90; 97.612; 90 | 5644.6 | Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands CrystEngComm, 2025, 27, 7213-7218 |
| 7250934 | CIF | C16 H36 Br4 N2 Zn | P 1 21/c 1 | 16.5689; 9.407; 17.1548 90; 108.421; 90 | 2536.8 | Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal CrystEngComm, 2025, 27, 7170-7177 |
| 7250935 | CIF | C16 H36 Br4 N2 Zn | P 1 21/c 1 | 16.12; 9.3802; 17.127 90; 109.239; 90 | 2445.1 | Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal CrystEngComm, 2025, 27, 7170-7177 |
| 7250936 | CIF | C16 H36 Br4 N2 Zn | P 1 21/c 1 | 15.9088; 9.2491; 17.0343 90; 109.705; 90 | 2359.69 | Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal CrystEngComm, 2025, 27, 7170-7177 |
| 7250937 | CIF | C40 H26 Cd Cl2 N8 | P n n a | 12.8121; 15.663; 20.3134 90; 90; 90 | 4076.41 | Ernst, Michelle; Poręba, Tomasz Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration CrystEngComm, 2025, 27, 7032-7037 |
| 7250946 | CIF | C23 H18 Cl2 N2 O3 S | P -1 | 9.805; 10.4025; 10.8869 78.332; 85.743; 88.576 | 1084.4 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250947 | CIF | C23 H18 Br Cl N2 O3 S | P 1 21/n 1 | 9.414; 10.97; 20.797 90; 94.98; 90 | 2139.6 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250948 | CIF | C23 H18 Br Cl N2 O3 S | P -1 | 9.869; 10.478; 10.8827 77.635; 85.089; 88.968 | 1095.21 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250949 | CIF | C23 H18 Br2 N2 O3 S | P -1 | 7.663; 10.8463; 13.3597 105.308; 93.899; 91.273 | 1067.59 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250950 | CIF | C23 H18 Br2 N2 O3 S | P -1 | 9.9689; 10.4507; 10.9158 77.441; 85.094; 88.691 | 1105.9 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250951 | CIF | C23 H18 Br Cl N2 O3 S | P -1 | 9.8663; 10.374; 10.8917 78.015; 85.853; 88.601 | 1087.59 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250952 | CIF | C23 H18 Br2 N2 O3 S | P -1 | 7.7322; 11.5483; 12.9685 74.852; 85.203; 73.512 | 1071.8 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250953 | CIF | C23 H18 Br Cl N2 O3 S | P -1 | 7.635; 10.878; 13.2457 105.712; 94.019; 90.956 | 1055.66 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250954 | CIF | C23 H18 Br I N2 O3 S | P -1 | 10.1225; 10.4444; 10.9523 76.93; 85.086; 88.512 | 1123.75 | Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S. Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines CrystEngComm, 2025, 27, 6884-6893 |
| 7250955 | CIF | C12 H15 O15 S2 Y | P 1 21/m 1 | 10.8473; 6.7443; 11.8655 90; 95.9398; 90 | 863.39 | Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers CrystEngComm, 2025, 27, 5952-5958 |
| 7250956 | CIF | C12 H9 K3 O12 S2 | C 1 2/c 1 | 20.6899; 7.2134; 11.8766 90; 93.194; 90 | 1769.76 | Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers CrystEngComm, 2025, 27, 5952-5958 |
| 7250959 | CIF | C76 H54 Co2 N6 O10 | P -1 | 14.6443; 16.4598; 16.4623 100.736; 114.653; 97.526 | 3445.2 | Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers CrystEngComm, 2025, 27, 7399-7407 |
| 7250960 | CIF | C34 H33 Co2 N3 O9 | P -1 | 8.5731; 13.2356; 15.4444 114.01; 102.728; 91.42 | 1548.58 | Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers CrystEngComm, 2025, 27, 7399-7407 |
| 7250961 | CIF | C60 H50 Co4 N6 O18 | P 1 21/n 1 | 6.8851; 14.5259; 27.3637 90; 94.163; 90 | 2729.5 | Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers CrystEngComm, 2025, 27, 7399-7407 |
| 7250962 | CIF | C2.8 H4 Ag0.2 N0.6 O0.8 | P 1 c 1 | 7.286; 15.961; 6.859 90; 102.481; 90 | 778.8 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250963 | CIF | C10 H8 Ag Br2 N3 O3 | C 1 2/c 1 | 13.562; 14.966; 7.0426 90; 99.938; 90 | 1408 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250964 | CIF | C15 H12 Ag Br3 N4 O3 | P -1 | 7.3925; 8.9234; 14.7986 80.079; 82.414; 82.005 | 946.4 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250965 | CIF | C15 H12 Ag Cl3 N4 O3 | P -1 | 7.1676; 8.8598; 14.8779 79.038; 83.22; 83.3 | 916.8 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250966 | CIF | C14 H18 Ag N3 O3 | P 1 21/n 1 | 8.2271; 13.9947; 13.1526 90; 93.875; 90 | 1510.9 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250967 | CIF | C14 H18 Ag N3 O3 | P b c n | 9.8316; 14.5509; 10.4516 90; 90; 90 | 1495.2 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250968 | CIF | C84 H108 Ag4 N16 O12 | P 1 21/n 1 | 8.4006; 28.694; 9.6056 90; 110.131; 90 | 2173.9 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7250969 | CIF | C20 H12 Br Cl3 I N3 Pt S | P 1 21/n 1 | 9.1118; 9.4747; 26.5196 90; 94.91; 90 | 2281.1 | Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948 |
| 7250970 | CIF | C20 H12 Cl3 I2 N3 Pt S | P 1 21/n 1 | 9.2357; 9.5567; 26.4572 90; 94.352; 90 | 2328.45 | Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948 |
| 7250971 | CIF | C18 H11 Br2 Cl N2 Pt | P 1 21/c 1 | 14.2022; 5.4179; 22.6784 90; 95.358; 90 | 1737.39 | Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948 |
| 7250972 | CIF | C19 H12 Br Cl4 I N2 Pt | P -1 | 9.0883; 9.8987; 13.0781 73.195; 81.969; 88.63 | 1115.08 | Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948 |
| 7250973 | CIF | C20 H14 Br2 N4 O2 Pt S | P 1 21/n 1 | 9.1208; 9.1619; 25.3184 90; 92.414; 90 | 2113.83 | Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A. Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes CrystEngComm, 2025, 27, 6942-6948 |
| 7250974 | CIF | C67 H95 Cl9 Cu4 N8 | P -1 | 11.7131; 12.9283; 23.679 81.723; 86.491; 89.546 | 3541.7 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250975 | CIF | C113 H145 Cu4 N8 | C 1 2/c 1 | 26.7596; 16.0134; 44.636 90; 95.211; 90 | 19048 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250976 | CIF | C95 H130 Ag4 Cl6 N8 | C 1 2/c 1 | 18.8833; 25.3326; 18.958 90; 91.053; 90 | 9067.3 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250977 | CIF | C48 H69 Ag3 N6 | P 1 21/c 1 | 14.9738; 12.7162; 23.893 90; 95.89; 90 | 4525.4 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250978 | CIF | C95.6 H127.6 Cu4 N8 | P -1 | 15.8447; 16.6587; 17.2643 73.325; 80.088; 68.762 | 4057 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250979 | CIF | C23 H32 N2 | P -1 | 12.4236; 12.7605; 13.4789 76.322; 87.605; 62.505 | 1836.1 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250980 | CIF | C50 H74 Ag N5 O4 | P n a 21 | 13.0607; 17.7739; 19.3443 90; 90; 90 | 4490.6 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250981 | CIF | C105 H162 Cl18 Cu6 N12 O6 | C 1 2/c 1 | 28.934; 18.033; 23.2794 90; 101.016; 90 | 11922.6 | Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents CrystEngComm, 2025, 27, 6987-6999 |
| 7250982 | CIF | C9 H13 N3 O | I 1 2/a 1 | 14.1135; 9.5709; 15.7423 90; 114.958; 90 | 1927.88 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250983 | CIF | C12 H19 N3 O | P 1 21/n 1 | 9.4878; 5.36366; 24.6068 90; 97.8206; 90 | 1240.58 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250984 | CIF | C10 H15 N3 O | P -1 | 5.4877; 9.4348; 10.5745 86.598; 83.945; 76.146 | 528.28 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250985 | CIF | C6 H6 Br N3 O | C c c m | 11.8524; 18.7728; 6.6622 90; 90; 90 | 1482.36 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250986 | CIF | C10 H14 Br N3 O | P -1 | 4.22728; 9.25178; 15.5113 83.8025; 88.238; 77.2224 | 588.149 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250987 | CIF | C7 H8 Br N3 O | P -1 | 11.91357; 12.78923; 13.5543 116.358; 103.363; 100.543 | 1701.06 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250988 | CIF | C9 H12 Cl N3 O | P 1 21/c 1 | 8.51521; 26.9519; 9.59636 90; 99.8219; 90 | 2170.09 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250989 | CIF | C9 H12 Br N3 O | P -1 | 8.1664; 10.9587; 13.4268 70.255; 73.271; 78.236 | 1075.49 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250990 | CIF | C7 H9 N3 O | I 1 2/m 1 | 9.43; 6.8202; 12.068 90; 98.06; 90 | 768.5 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250991 | CIF | C8 H11 N3 O | I 1 2/a 1 | 17.7106; 5.3994; 18.1317 90; 96.21; 90 | 1723.7 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250992 | CIF | C8 H10 Br N3 O | P -1 | 4.59547; 8.48559; 12.8938 89.593; 87.432; 76.571 | 488.56 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250993 | CIF | C12 H18 Br N3 O | P -1 | 5.4649; 10.9705; 12.1885 92.709; 102.343; 100.682 | 698.59 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250994 | CIF | C7 H8 Cl N3 O | P -1 | 11.7286; 12.7307; 13.5373 116.572; 103.249; 99.737 | 1671.82 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250995 | CIF | C6 H6 Cl N3 O | C c c m | 11.5229; 18.7942; 6.594 90; 90; 90 | 1428.02 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250996 | CIF | C8 H10 Cl N3 O | P -1 | 4.4817; 8.3337; 12.9705 89.426; 87.812; 77.427 | 472.475 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250997 | CIF | C11 H16 Br N3 O | P 1 21/n 1 | 11.27079; 5.29124; 21.5186 90; 104.083; 90 | 1244.72 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250998 | CIF | C12 H18 Cl N3 O | P -1 | 4.7917; 7.8274; 18.7292 98.463; 97.059; 100.985 | 673.8 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7250999 | CIF | C10 H14 Cl N3 O | P 1 21/n 1 | 11.8655; 4.9261; 20.0131 90; 104.12; 90 | 1134.44 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7251000 | CIF | C11 H17 N3 O | P -1 | 5.404; 9.4516; 11.8359 86.634; 78.835; 74.9 | 572.59 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7251001 | CIF | C11 H16 Cl N3 O | P 1 21/c 1 | 14.1859; 4.43507; 20.7479 90; 107.348; 90 | 1245.98 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7251002 | CIF | C10 H14 Br N3 O | P 1 21/c 1 | 26.6198; 10.98094; 8.05204 90; 93.5077; 90 | 2349.29 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives CrystEngComm, 2025, 27, 7000-7011 |
| 7251003 | CIF | C25.5 H26.5 Cl0.5 N2 O8 S | P 41 21 2 | 13.0114; 13.0114; 29.2398 90; 90; 90 | 4950.2 | Naumkina, Yelizaveta; Kratochvil, B.; Korotkova, Elena; Cejka, Jan New forms of apremilast with halogen derivates of benzoic acid CrystEngComm, 2025 |
| 7251004 | CIF | C25.5 H26.5 Cl0.5 N2 O8 S | P 41 21 2 | 13.0171; 13.0171; 29.3731 90; 90; 90 | 4977.12 | Naumkina, Yelizaveta; Kratochvil, B.; Korotkova, Elena; Cejka, Jan New forms of apremilast with halogen derivates of benzoic acid CrystEngComm, 2025 |
| 7251005 | CIF | C25.5 H26.5 Br0.5 N2 O8 S | P 41 21 2 | 13.0239; 13.0239; 29.5351 90; 90; 90 | 5009.8 | Naumkina, Yelizaveta; Kratochvil, B.; Korotkova, Elena; Cejka, Jan New forms of apremilast with halogen derivates of benzoic acid CrystEngComm, 2025 |
| 7251006 | CIF | C25.5 H26.5 Cl0.5 N2 O8 S | P 21 21 21 | 13.1247; 13.4043; 28.9113 90; 90; 90 | 5086.3 | Naumkina, Yelizaveta; Kratochvil, B.; Korotkova, Elena; Cejka, Jan New forms of apremilast with halogen derivates of benzoic acid CrystEngComm, 2025 |
| 7251007 | CIF | C25.5 H26.5 Br0.5 N2 O8 S | P 21 21 21 | 13.2266; 13.4694; 28.8772 90; 90; 90 | 5144.6 | Naumkina, Yelizaveta; Kratochvil, B.; Korotkova, Elena; Cejka, Jan New forms of apremilast with halogen derivates of benzoic acid CrystEngComm, 2025 |
| 7251008 | CIF | C63 H29 Dy3 F54 N8 O22 | C 1 2/c 1 | 21.636; 15.445; 27.323 90; 99.797; 90 | 8997 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251009 | CIF | C93 H86 F42 N4 O13 Yb2 | P 21 21 21 | 20.1753; 21.9101; 23.9762 90; 90; 90 | 10598.5 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251010 | CIF | C93 H92 F42 N4 O13 Yb2 | P 21 21 21 | 20.1867; 21.914; 23.957 90; 90; 90 | 10597.9 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251011 | CIF | C93 H92 Dy2 F42 N4 O13 | P 21 21 21 | 20.3763; 21.8829; 23.9653 90; 90; 90 | 10685.9 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251012 | CIF | C88 H34 F84 N8 O34 Yb6 | P 1 21/c 1 | 24.4464; 18.0114; 32.9488 90; 110.32; 90 | 13605 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251013 | CIF | C50 H22 Cl2 Dy2 F36 N8 O14 | P 1 21/n 1 | 12.0886; 13.4975; 21.222 90; 93.84; 90 | 3454.9 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251014 | CIF | C33 H20 F9 N4 O7 S3 Yb | P b c n | 33.7474; 10.9749; 20.4309 90; 90; 90 | 7567.1 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251015 | CIF | C39 H14 F36 N4 O13 Yb2 | P -1 | 11.695; 15.9999; 16.7054 71.873; 70.644; 81.626 | 2799.7 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251016 | CIF | C93 H92 Dy2 F42 N4 O13 | P 21 21 21 | 20.373; 21.863; 23.974 90; 90; 90 | 10678 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251017 | CIF | C88 H34 Dy6 F84 N8 O34 | P 1 21/n 1 | 16.4799; 19.9305; 43.082 90; 93.33; 90 | 14126.5 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of Lanthanide Single-Molecule Magnets CrystEngComm, 2025 |
| 7251042 | CIF | C26 H40 N0 O33 Sc6 | P 62 2 2 | 14.9796; 14.9796; 25.7042 90; 90; 120 | 4995 | Zhang, Liying; Li, Yan; Fan, Meiqing; Gao, Lu; Fan, Yong; Wang, Li Homochiral coordination polymer with a 1D helical chain based on self-assembly of an achiral Sc(iii) trimer CrystEngComm, 2025, 27, 7514-7519 |
| 7251043 | CIF | C47 H36 Cd N2 O6 | P 1 21/c 1 | 15.5067; 16.2821; 15.4048 90; 103.201; 90 | 3786.65 | Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers CrystEngComm, 2025, 27, 7531-7539 |
| 7251044 | CIF | C47 H38 N2 O6 Zn | P 1 21/c 1 | 15.3041; 15.6105; 15.5655 90; 103.72; 90 | 3612.6 | Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers CrystEngComm, 2025, 27, 7531-7539 |
| 7251045 | CIF | C60 H60 N14 O15 | P 1 | 9.5583; 9.59; 17.1147 78.722; 79.352; 69.659 | 1430.89 | Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design CrystEngComm, 2025, 27, 7562-7574 |
| 7251046 | CIF | C62 H62 N14 O14 | P 1 | 9.49588; 9.79722; 17.0733 78.0108; 81.7049; 70.9622 | 1463.72 | Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design CrystEngComm, 2025, 27, 7562-7574 |
| 7251047 | CIF | C26 H35 N O10 | P 1 21 1 | 5.6929; 17.0162; 13.4451 90; 96.135; 90 | 1294.99 | Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong Novel multicomponent crystal forms of artesunate CrystEngComm, 2025, 27, 7146-7169 |
| 7251048 | CIF | C22 H35 N3 O9 | P 1 21 1 | 10.5562; 7.3837; 15.7892 90; 98.315; 90 | 1217.73 | Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong Novel multicomponent crystal forms of artesunate CrystEngComm, 2025, 27, 7146-7169 |
| 7251049 | CIF | C44 H68 N2 O16 | P 1 21 1 | 10.3355; 10.1548; 21.6741 90; 102.644; 90 | 2219.64 | Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong Novel multicomponent crystal forms of artesunate CrystEngComm, 2025, 27, 7146-7169 |
| 7251050 | CIF | C44 H68 N2 O16 | P 1 21 1 | 11.0046; 8.5912; 23.6155 90; 98.743; 90 | 2206.7 | Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong Novel multicomponent crystal forms of artesunate CrystEngComm, 2025, 27, 7146-7169 |
| 7251051 | CIF | C31 H36 N2 O8 | P 1 21 1 | 9.57054; 51.5305; 9.8305 90; 118.766; 90 | 4249.85 | Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong Novel multicomponent crystal forms of artesunate CrystEngComm, 2025, 27, 7146-7169 |
| 7251052 | CIF | C21 H36 N2 O10 | P 1 21 1 | 10.3625; 7.3357; 15.0315 90; 93.125; 90 | 1140.94 | Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong Novel multicomponent crystal forms of artesunate CrystEngComm, 2025, 27, 7146-7169 |
| 7251056 | CIF | C16 H12 N2 O2 | P 1 21/c 1 | 14.5096; 17.8805; 10.3906 90; 110.379; 90 | 2527 | Constantin, Ana Maria; Mele, Francesco; Botla, Vinayak; Della Ca', Nicola; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie Matthieu; Cauzzi, Daniele; Pancrazzi, francesco; Mazzeo, Paolo Pio A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement CrystEngComm, 2025 |
| 7251057 | CIF | C17 H14 N2 O2 | P 1 21/c 1 | 11.954; 7.454; 15.468 90; 95.33; 90 | 1372.3 | Constantin, Ana Maria; Mele, Francesco; Botla, Vinayak; Della Ca', Nicola; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie Matthieu; Cauzzi, Daniele; Pancrazzi, francesco; Mazzeo, Paolo Pio A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement CrystEngComm, 2025 |
| 7251058 | CIF | C18 H23 N3 O S | P 1 21/n 1 | 14.2535; 6.5278; 18.3623 90; 102.641; 90 | 1667.09 | Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T. Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals CrystEngComm, 2025 |
| 7251059 | CIF | C18 H21 F2 N3 S | P -1 | 6.3669; 11.814; 11.8768 78.145; 84.27; 79.081 | 856.745 | Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T. Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals CrystEngComm, 2025 |
| 7251060 | CIF | C18 H21 Cl2 N3 S | P -1 | 7.2877; 11.4798; 11.5478 71.734; 79.215; 83.192 | 899.36 | Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T. Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals CrystEngComm, 2025 |
| 7251061 | CIF | C18 H22 N4 O2 S | P -1 | 6.3418; 11.5247; 12.209 96.592; 97.243; 104.197 | 848.26 | Al-Wahaibi, Lamya H.; Blacque, Olivier; Al-Mutairi, Aamal A; El-Emam, Ali A.; Gomila, Rosa Maria; Frontera, Antonio; Tiekink, Edward R. T. Beyond hydrogen bonds: unveiling the structure-directing role of side-on X···π interactions in adamantane-thiourea crystals CrystEngComm, 2025 |
| 7251062 | CIF | C11 H10 Br N O3 S | P 1 21/n 1 | 6.6087; 21.264; 9.0465 90; 106.598; 90 | 1218.3 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251063 | CIF | C12 H12 Cl N O3 S | P -1 | 6.5344; 9.1056; 11.7424 100.892; 91.458; 105.79 | 658.01 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251064 | CIF | C11 H10 Cl N O3 S | P 1 21/n 1 | 6.5431; 20.755; 9.1169 90; 106.423; 90 | 1187.6 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251065 | CIF | C66 H54 Br6 I6 N6 O18 S6 | P n m a | 16.043; 37.2257; 6.8695 90; 90; 90 | 4102.5 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251066 | CIF | C12 H12 I N O3 S | P 1 21/n 1 | 7.3872; 24.047; 8.6774 90; 113.73; 90 | 1411.1 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251067 | CIF | C11 H10 I N O3 S | P b c a | 12.5118; 9.3438; 21.996 90; 90; 90 | 2571.5 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251068 | CIF | C12 H12 I N O3 S | P 1 21/n 1 | 7.6818; 19.4505; 9.7988 90; 111.819; 90 | 1359.2 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251069 | CIF | C12 H11 Br I N O3 S | P 1 21/c 1 | 13.6268; 6.7637; 15.8045 90; 98.434; 90 | 1440.9 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251070 | CIF | C12 H12 Br N O3 S | P 1 21/n 1 | 7.518; 19.441; 9.745 90; 111.921; 90 | 1321.3 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251071 | CIF | C11 H10 I N O3 S | P b c a | 12.925; 9.7288; 21.2989 90; 90; 90 | 2678.2 | Čulig, Matija; Nemec, Vinko; Bregovic, Nikola; Cinčić, Dominik Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids CrystEngComm, 2025 |
| 7251072 | CIF | C26 H15 Cd N2 O8 | P 1 21/c 1 | 10.3644; 15.773; 13.564 90; 104.357; 90 | 2148.2 | Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials CrystEngComm, 2025, 27, 7128-7134 |
| 7251073 | CIF | C52 H44 Cd2 N4 O16 | P 1 21/n 1 | 21.6271; 10.1463; 21.9122 90; 107.862; 90 | 4576.53 | Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials CrystEngComm, 2025, 27, 7128-7134 |
| 7251074 | CIF | C6 H10 N6 O | P 1 21/n 1 | 6.869; 8.1816; 14.4226 90; 95.38; 90 | 806.97 | Guo, Benyue; Hu, Lu; Pang, Siping A methyl-driven strategy enhances sensitivity through the modulation of aromaticity CrystEngComm, 2025, 27, 7328-7332 |
| 7251075 | CIF | C6 H12 N8 O7 | C 1 c 1 | 13.8934; 11.8961; 8.5408 90; 121.962; 90 | 1197.6 | Guo, Benyue; Hu, Lu; Pang, Siping A methyl-driven strategy enhances sensitivity through the modulation of aromaticity CrystEngComm, 2025, 27, 7328-7332 |
| 7251076 | CIF | C6 H8 N2 O5 | P 1 21/c 1 | 8.4782; 14.2395; 6.3998 90; 97.711; 90 | 765.63 | Guo, Benyue; Hu, Lu; Pang, Siping A methyl-driven strategy enhances sensitivity through the modulation of aromaticity CrystEngComm, 2025, 27, 7328-7332 |
| 7251077 | CIF | C6 H5 N3 O2 | P c c n | 7.699; 12.322; 14.09 90; 90; 90 | 1336.7 | Guo, Benyue; Hu, Lu; Pang, Siping A methyl-driven strategy enhances sensitivity through the modulation of aromaticity CrystEngComm, 2025, 27, 7328-7332 |
| 7251078 | CIF | C6 H11 N9 O5 | C 1 2/c 1 | 14.1206; 19.4498; 8.7731 90; 106.183; 90 | 2314 | Guo, Benyue; Hu, Lu; Pang, Siping A methyl-driven strategy enhances sensitivity through the modulation of aromaticity CrystEngComm, 2025, 27, 7328-7332 |
| 7251079 | CIF | C6 H13 N9 O7 | P -1 | 12.646; 13.107; 15.668 89.95; 79.6; 87.27 | 2551 | Guo, Benyue; Hu, Lu; Pang, Siping A methyl-driven strategy enhances sensitivity through the modulation of aromaticity CrystEngComm, 2025, 27, 7328-7332 |
| 7251080 | CIF | C10 H3 F5 S | P -1 | 6.4378; 7.2041; 19.8873 94.374; 90.518; 94.324 | 916.94 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene CrystEngComm, 2025 |
| 7251081 | CIF | C19 H23 F5 S Si | P 1 21/n 1 | 8.5617; 19.8126; 11.6723 90; 94.529; 90 | 1973.78 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene CrystEngComm, 2025 |
| 7251082 | CIF | C13 H11 F5 S Si | P c a 21 | 30.7633; 6.8541; 13.4097 90; 90; 90 | 2827.5 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene CrystEngComm, 2025 |
| 7251083 | CIF | C16 H17 F5 S Si | P -1 | 7.453; 7.5747; 17.1723 85.62; 80.227; 61.642 | 840.72 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic Investigation of the Effect of Trialkylsilyl Groups on the Crystal Structures of Perfluorophenyl-Substituted Thiophene CrystEngComm, 2025 |
| 7251084 | CIF | C4 H13 Cl2 N5 | P 1 21 1 | 7.0914; 5.7846; 12.48 90; 105.231; 90 | 493.96 | Hitchings, Thomas; Students, School Project; Shepherd, Angela; Alfredsson, Maria; Saines, Paul James Analysis of a New Hydrochloride Salt of the Common Pharmaceutical Metformin CrystEngComm, 2025 |
| 7251085 | CIF | C96 H104 N24 O48 P16 Pt12 | P 1 21/n 1 | 12.0055; 25.3262; 24.2636 90; 94.6459; 90 | 7353.2 | Uemura, Kazuhiro; Kanamori, Shota Electrostatically Assembled One-Dimensional Platinum Chains with Red-Shifted MMLCT Transitions CrystEngComm, 2025 |
| 7251086 | CIF | C24 H28 N6 O12 P4 Pt3 | P 1 21/n 1 | 13.0195; 18.9029; 15.0103 90; 90.943; 90 | 3693.63 | Uemura, Kazuhiro; Kanamori, Shota Electrostatically Assembled One-Dimensional Platinum Chains with Red-Shifted MMLCT Transitions CrystEngComm, 2025 |
| 7251087 | CIF | C29 H24 N5 O4.5 | C 1 2/c 1 | 33.386; 11.052; 14.922 90; 100.97; 90 | 5405.3 | Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K. Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures CrystEngComm, 2025, 27, 7135-7145 |
| 7251088 | CIF | C27 H14 Cu1.5 N4 O5.5 | P 42/n b c :2 | 32.051; 32.051; 28.537 90; 90; 90 | 29315 | Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K. Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures CrystEngComm, 2025, 27, 7135-7145 |
| 7251089 | CIF | C62 H48 Mg2 N10 O15 | P 1 21/c 1 | 19.8544; 18.8871; 20.3096 90; 111.172; 90 | 7101.87 | Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K. Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures CrystEngComm, 2025, 27, 7135-7145 |
| 7251090 | CIF | C162 H84 Gd4 N24 O25 | I -4 | 42.346; 42.346; 33.254 90; 90; 90 | 59631 | Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K. Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures CrystEngComm, 2025, 27, 7135-7145 |
| 7251091 | CIF | C27 H14.62 Cu1.5 N4 O5.5 | P 42/n b c :2 | 33.9994; 33.9994; 21.8483 90; 90; 90 | 25255.7 | Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K. Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures CrystEngComm, 2025, 27, 7135-7145 |
| 7251092 | CIF | C54 H28 Ca2 N8 O10 | P 32 | 18.9715; 18.9715; 24.607 90; 90; 120 | 7670 | Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K. Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures CrystEngComm, 2025, 27, 7135-7145 |
| 7251093 | CIF | C64 H84 N4 O17 | P -1 | 13.651; 14.252; 15.902 88.819; 81.557; 74.642 | 2950.4 | Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties CrystEngComm, 2025 |
| 7251094 | CIF | C26 H28 N2 O8 | P -1 | 7.0389; 10.51; 15.782 91.671; 90.864; 100.318 | 1147.9 | Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties CrystEngComm, 2025 |
| 7251095 | CIF | C26 H30 N2 O8 | P n m a | 22.1125; 6.6904; 16.0518 90; 90; 90 | 2374.7 | Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties CrystEngComm, 2025 |
| 7251096 | CIF | C22 H22 Br2 O2 | P 1 21/c 1 | 13.123; 11.645; 12.458 90; 106.293; 90 | 1827.3 | Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties CrystEngComm, 2025 |
| 7251097 | CIF | C13 H6 F5 N O S | P 1 21/n 1 | 6.8713; 12.7549; 14.2974 90; 97.542; 90 | 1242.22 | Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties CrystEngComm, 2025 |
| 7251098 | CIF | C14 H6 F5 N O2 S | C 1 c 1 | 12.7322; 12.9715; 8.4476 90; 101.938; 90 | 1364.99 | Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties CrystEngComm, 2025 |
| 7251099 | CIF | C20 H10 F4 I2 N2 S2 | P 1 21/n 1 | 10.4312; 4.2982; 23.6454 90; 97.6; 90 | 1050.84 | Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties CrystEngComm, 2025 |
| 7251100 | CIF | C32 H19 Cl3 N4 S2 | P 1 21/c 1 | 10.29396; 23.41077; 11.59685 90; 91.6145; 90 | 2793.61 | Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence CrystEngComm, 2025, 27, 7484-7490 |
| 7251101 | CIF | C31 H18 N4 S2 | P 1 21 1 | 11.7158; 5.8667; 17.82 90; 106.345; 90 | 1175.32 | Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence CrystEngComm, 2025, 27, 7484-7490 |
| 7251102 | CIF | C15 H15 Ag N4 O3 | P 32 2 1 | 10.6796; 10.6796; 25.274 90; 90; 120 | 2496.4 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251103 | CIF | C15 H12 Ag Br3 N4 O3 | P -1 | 7.4692; 9.0221; 15.0268 80.89; 81.659; 82.125 | 982.51 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251104 | CIF | C15 H15 Ag N4 O3 | C 1 2/c 1 | 18.667; 10.5025; 17.581 90; 99.65; 90 | 3398 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251105 | CIF | C18 H21 Ag N4 O3 | R 3 m :H | 15.04; 15.04; 7.918 90; 90; 120 | 1551.1 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251106 | CIF | C12 H14 Ag N3 O3 | P -1 | 7.3646; 9.0861; 10.5942 88.57; 74.611; 74.664 | 658.38 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251107 | CIF | C12 H14 Ag N3 O3 | P 1 21/n 1 | 7.5615; 9.927; 19.0398 90; 99.541; 90 | 1409.42 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251108 | CIF | C12 H14 Ag N3 O3 | C 1 2/c 1 | 7.5095; 20.5024; 9.176 90; 105.706; 90 | 1360 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251109 | CIF | C24 H28 Ag2 N6 O6 | P -1 | 9.0446; 9.4801; 9.9233 67.336; 64.591; 69.458 | 691.41 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251110 | CIF | C21 H27 Ag N4 O3 | P 1 21/n 1 | 8.4906; 30.3813; 9.46 90; 107.563; 90 | 2326.5 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251111 | CIF | C21 H27 Ag N4 O3 | P 1 21/n 1 | 8.45; 29.055; 9.635 90; 110.092; 90 | 2221.6 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251112 | CIF | C10 H8 Ag Br2 N3 O3 | C 1 2/c 1 | 13.5949; 15.0778; 7.1886 90; 100.67; 90 | 1448.05 | Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A. Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies CrystEngComm, 2025 |
| 7251113 | CIF | C9.5 H7 N5 Se0.5 | P -1 | 8.168; 10.9027; 11.8936 75.122; 77.773; 80.977 | 994.53 | Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A. Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking CrystEngComm, 2025, 27, 7390-7398 |
| 7251114 | CIF | C18 H12 N10 O Se | P 1 21/c 1 | 11.0474; 21.2353; 8.1038 90; 94.318; 90 | 1895.71 | Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A. Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking CrystEngComm, 2025, 27, 7390-7398 |
| 7251115 | CIF | C2.24 H1.92 N0.96 O0.16 | P -1 | 7.4527; 14.1001; 14.2337 65.216; 82.064; 79.392 | 1331.65 | Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A. Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking CrystEngComm, 2025, 27, 7390-7398 |
| 7251116 | CIF | C19 H13 N3 O2 Pt S | P 1 21/c 1 | 7.7842; 22.6186; 13.3599 90; 136.167; 90 | 1629.1 | Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R. Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications CrystEngComm, 2025, 27, 7498-7513 |
| 7251117 | CIF | C19 H13 N3 O3 Pt | P -1 | 7.2737; 10.8511; 11.9475 64.988; 88.479; 72.764 | 810.85 | Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R. Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications CrystEngComm, 2025, 27, 7498-7513 |
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