Crystallography Open Database
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Result: there are 55 entries in the selection
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Searching journal of publication like 'IUCrJ' volume of publication is 1
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 |
| 1513587 | CIF | C6 H4 Br2 O | P 1 21/c 1 | 11.169; 4.2067; 14.911 90; 91.07; 90 | 700.5 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513588 | CIF | C7 H3 Cl3 O3 | P 1 21/c 1 | 4.9531; 24.02; 8.007 90; 118.88; 90 | 834.1 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513589 | CIF | C7 H3 Cl3 O3 | P 1 21/c 1 | 4.9712; 24.094; 8.0459 90; 118.884; 90 | 843.8 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513590 | CIF | C7 H3 Cl3 O3 | P 1 21/c 1 | 4.979; 24.298; 8.0971 90; 119.108; 90 | 855.9 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513591 | CIF | C7 H5 Cl O2 | P -1 | 3.8017; 6.1607; 14.208 92.417; 94.718; 92.286 | 331.03 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513592 | CIF | C7 H5 Cl O2 | P -1 | 3.8208; 6.1785; 14.209 92.591; 94.866; 91.978 | 333.63 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513593 | CIF | C7 H5 Cl O2 | P -1 | 3.8686; 6.227; 14.243 92.794; 95.149; 91.493 | 341.2 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1542840 | CIF HKL | C27 H29 Cl N2 O7 | P -1 | 11.9406; 21.3081; 5.103 92.373; 93.003; 85.308 | 1291.3 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542841 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 11.89; 4.9621; 21.4281 90; 90.663; 90 | 1264.16 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542842 | CIF HKL | C28 H25 Cl N2 O8 | P 1 21 1 | 16.959; 4.7993; 17.285 90; 113.55; 90 | 1289.7 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542843 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 21.7202; 5.0077; 11.8457 90; 93.954; 90 | 1285.4 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542844 | CIF HKL | C46 H46 Cl2 N4 O12 | P -1 | 7.3994; 25.6703; 5.8254 90.162; 98.598; 98.315 | 1082.2 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542845 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.0243; 9.4152; 10.928 82.75; 79.147; 76.703 | 688.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542846 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 6.9676; 21.336; 9.1861 90; 99.139; 90 | 1348.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542847 | CIF Paper | C12 H8 Cl5 N O | P 1 21 1 | 7.0572; 15.4665; 13.2112 90; 98.98; 90 | 1424.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542848 | CIF Paper | C12 H8 Cl5 N O | I 1 2/a 1 | 22.638; 7.2553; 18.013 90; 90.767; 90 | 2958.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542849 | CIF Paper | C12 H7 Cl5 N O | P -1 | 7.0681; 9.5008; 11.4095 85.402; 83.071; 71.211 | 719.36 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542850 | CIF Paper | C12 H9 Br Cl3 N O | P -1 | 7.0562; 9.373; 11.11 83.358; 79.173; 76.588 | 700 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542851 | CIF Paper | C12 H9 Cl3 I N O | P -1 | 7.083; 9.354; 11.456 84.118; 79.555; 76.553 | 724.5 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542852 | CIF Paper | C12 H7 Cl4 I N O | P -1 | 7.107; 9.498; 11.827 85.425; 81.804; 71.851 | 750.4 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542853 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 7.851; 11.865; 14.891 90; 106.79; 90 | 1328 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542854 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.208; 9.333; 10.884 99.035; 107.107; 102.219 | 664.8 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542855 | CIF Paper | C12 H8 Cl5 N O | P -1 | 7.1441; 9.3027; 11.8726 77.966; 74.889; 77.979 | 735.06 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542856 | CIF Paper | C12 H8 Cl5 N O | P -1 | 7.206; 9.2558; 11.3203 99.693; 99.616; 101.387 | 713.76 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542857 | CIF Paper | C14 H14 N2 O4 | C 1 2/c 1 | 24.698; 5.1072; 20.6682 90; 99.673; 90 | 2570 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542858 | CIF Paper | C14 H14 N2 O4 | P 1 21/c 1 | 12.41; 5.124; 20.06 90; 92.901; 90 | 1274 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542859 | CIF Paper | C14 H14 N2 O5 | P -1 | 4.76; 11.501; 12.539 77.081; 86.975; 81.302 | 661.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542860 | CIF | C44 H40 Ag2 N12 O8 | P b c m | 12.6641; 26.23; 35.269 90; 90; 90 | 11716 | Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ, 2014, 1, 318-327 |
| 1542861 | CIF | C24 H20 Ag F3 N6 O11 | I b a m | 6.4005; 26.426; 35.016 90; 90; 90 | 5922.6 | Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ, 2014, 1, 318-327 |
| 1543051 | CIF HKL | C6 H12 O6 | P 21/n | 11.58792; 12.2101; 5.25364 90; 90.5649; 90 | 743.3 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
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