Crystallography Open Database
Search results
Result: there are 1135 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'IuCrJ'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1513566 | CIF HKL | C10 H10 N4 O2 | P 1 21/c 1 | 11.0104; 10.0398; 18.604 90; 97.32; 90 | 2039.77 | Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ, 2014, 1, 110-118 |
1513567 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 10.978; 10.006; 18.488 90; 97.223; 90 | 2014.7 | Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ, 2014, 1, 110-118 |
1513568 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.047; 10.129; 18.652 90; 97.223; 90 | 2070.5 | Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ, 2014, 1, 110-118 |
1513569 | CIF | C44 H40 N6 O4 | P -1 | 8.7711; 10.0113; 12.0057 67.978; 78.03; 69.224 | 910.38 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513570 | CIF HKL | C44 H40 N6 O4 | P 1 21/n 1 | 9.2233; 36.2938; 16.5853 90; 97.827; 90 | 5500.2 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513572 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.0828; 12.3446; 16.6095 90; 96.32; 90 | 1851 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513573 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.118; 12.3427; 16.64 90; 96.381; 90 | 1861.08 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513574 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.1938; 12.3828; 16.7311 90; 96.358; 90 | 1893.04 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513575 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.2118; 36.2075; 16.5458 90; 97.923; 90 | 5465.9 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513576 | CIF | C17 H16 N2 O2 | P 1 21/c 1 | 17.8201; 8.3288; 39.3222 90; 91.901; 90 | 5833 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
1513577 | CIF HKL | C6 H4 Cl2 O | I 41/a :2 | 26.127; 26.127; 3.7926 90; 90; 90 | 2588.9 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513578 | CIF | C6 H4 Cl2 O | I 41/a :2 | 26.186; 26.186; 3.8144 90; 90; 90 | 2615.6 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513579 | CIF | C6 H4 Cl2 O | I 41/a :2 | 26.251; 26.251; 3.8524 90; 90; 90 | 2654.7 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513580 | CIF | C6 H4 Br Cl O | I 41/a :2 | 26.419; 26.419; 3.8824 90; 90; 90 | 2709.8 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513581 | CIF | C6 H4 Br Cl O | I 41/a :2 | 26.465; 26.465; 3.9017 90; 90; 90 | 2732.7 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513582 | CIF | C6 H4 Br Cl O | I 41/a :2 | 26.65; 26.65; 3.965 90; 90; 90 | 2816 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513583 | CIF | C6 H4 Br Cl O | P 1 21/c 1 | 11.457; 4.1113; 15.233 90; 108.905; 90 | 678.8 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513584 | CIF | C6 H4 Cl I O | P 1 21/c 1 | 11.222; 4.263; 15.81 90; 106.933; 90 | 724 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513585 | CIF | C6 H4 Cl I O | P 1 21/c 1 | 11.242; 4.286; 15.87 90; 107.016; 90 | 731.2 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
1513586 | CIF | C6 H4 Cl I O | P 1 21/c 1 | 11.26; 4.321; 15.88 90; 106.74; 90 | 740 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!