Crystallography Open Database
Search results
Result: there are 138 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' volume of publication is 3
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544304 | CIF | C18 H22 N4 O4 | P -1 | 7.7923; 7.9651; 8.4455 102.627; 95.961; 114.174 | 455.51 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544305 | CIF | C20 H20 N2 O0 | P n a 21 | 21.105; 6.5848; 11.241 90; 90; 90 | 1562.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544306 | CIF | C16 H16 N2 O2 | P 1 21/c 1 | 7.4431; 3.9111; 22.7679 90; 99.239; 90 | 654.19 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544307 | CIF | C12 H12 N9 O2.75 | C 1 2/c 1 | 38.9915; 6.9971; 29.1584 90; 130.424; 90 | 6056 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1545809 | CIF | C32 H36 N4 O4 | P 1 21/n 1 | 7.8566; 21.336; 8.3872 90; 90.911; 90 | 1405.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545810 | CIF | C30 H34 N2 O4 S2 | P 1 21/n 1 | 7.7971; 22.217; 7.9179 90; 91.479; 90 | 1371.1 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545811 | CIF | C43 H49 N5 O4 | P -1 | 7.409; 8.781; 15.36 81.63; 86.57; 78.64 | 969 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545812 | CIF | C29 H30 N2 O2 | P 1 21/c 1 | 7.5571; 24.125; 12.9363 90; 92.034; 90 | 2357 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545813 | CIF | C34 H38 N2 O4 | P 1 21/n 1 | 8.292; 20.615; 8.47 90; 92.435; 90 | 1446.6 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545814 | CIF | C44 H46 N6 O4 | P -1 | 7.485; 8.797; 14.171 96.618; 93.306; 91.826 | 924.6 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545815 | CIF | C42 H44 N4 O4 S2 | P -1 | 7.492; 9.069; 13.643 98.069; 92.516; 91.428 | 916.5 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545816 | CIF | C90 H96 N10 O8 | P -1 | 7.3795; 8.8871; 29.533 89.495; 84.054; 85.281 | 1919.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545817 | CIF | C75 H73 N8 O6 | P -1 | 7.478; 8.739; 23.37 92.36; 90.29; 93.131 | 1524 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545818 | CIF | C46 H48 N4 O4 | P -1 | 7.528; 8.948; 14.11 96.219; 94.61; 90.598 | 942 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545819 | CIF | C44 H48 N6 O4 | P -1 | 7.4957; 8.7882; 14.308 97.049; 94.334; 91.781 | 931.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545820 | CIF | C42 H46 N4 O4 S2 | P -1 | 7.531; 9.026; 13.941 98.18; 92.03; 91.235 | 937 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545821 | CIF | C75 H75 N8 O6 | P -1 | 7.4611; 8.7285; 23.6219 92.85; 91.347; 93.317 | 1533.34 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545822 | CIF | C77 H79 N8 O5 | P -1 | 7.4709; 8.7326; 23.6381 92.857; 91.317; 93.293 | 1537.18 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545823 | CIF | C77 H77 N6 O6 | P -1 | 7.4914; 8.8265; 23.583 92.722; 92.976; 91.626 | 1554.77 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545824 | CIF | C46 H50 N4 O4 | P -1 | 7.5407; 8.9198; 14.284 96.506; 96.093; 90.634 | 948.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545825 | CIF | C27 H38 N2 O2 | P 1 21/c 1 | 8.356; 24.894; 11.744 90; 96.324; 90 | 2428 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545826 | CIF | C50 H52 N4 O4 | P -1 | 7.546; 9.4647; 14.8318 85.58; 77.14; 86.77 | 1028.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545827 | CIF | C42 H48 N6 O4 | P -1 | 7.324; 8.723; 15.107 82.27; 88.73; 78.76 | 938 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545828 | CIF | C31 H30 N2 O2 | P 1 21/c 1 | 8.0059; 24.903; 12.0892 90; 91.065; 90 | 2409.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545829 | CIF | C44 H50 N4 O4 | P -1 | 7.195; 8.865; 15.981 80.52; 84.2; 79.19 | 985 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545830 | CIF Paper | C9 H11 N5 O4 S2 | P 1 21/n 1 | 4.9138; 33.192; 8.3659 90; 99.52; 90 | 1345.7 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545831 | CIF Paper | C14 H16 N6 O5 S2 | P -1 | 6.8501; 11.3563; 12.3387 82.288; 81.856; 75.804 | 916.19 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545832 | CIF Paper | C10 H19 N5 O5 S2 | P -1 | 4.9969; 11.6983; 14.6244 70.868; 81.892; 80.262 | 792.65 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545833 | CIF Paper | C5 H9 N4 O3.5 S2.5 | C 1 2/c 1 | 52.62; 4.816; 17.814 90; 106.785; 90 | 4322 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545834 | CIF Paper | C10 H13 N5 O4 S2 | P 1 c 1 | 11.3972; 18.1641; 10.338 90; 97.046; 90 | 2124 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545835 | CIF Paper | C10 H12 N6 O4 S2 | P -1 | 5.1477; 10.8147; 14.2604 69.797; 85.463; 81.889 | 737.2 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545836 | CIF Paper | C15 H17 N7 O5 S2 | P -1 | 7.0347; 10.2539; 13.7934 81.685; 83.028; 88.283 | 977.14 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545837 | CIF Paper | C10 H15 N5 O6 S2 | P -1 | 7.7872; 10.213; 10.2464 88.192; 76.587; 77.996 | 775.22 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545838 | CIF Paper | C14 H24 N6 O5 S2 | P 1 21/c 1 | 9.66166; 23.4685; 8.84352 90; 100.773; 90 | 1969.88 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545839 | CIF | C38 H52 N6 O4 | P -1 | 8.8712; 10.1819; 11.2862 114.633; 93.749; 101 | 897.56 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545840 | CIF | C120 H160 N16 O17 | C 1 2/c 1 | 15.533; 8.564; 21.8 90; 93.873; 90 | 2893 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545841 | CIF | C36 H48 N6 O6 | P 1 21/c 1 | 15.6084; 13.4786; 17.2209 90; 90.2; 90 | 3622.9 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545842 | CIF | C64 H56 N4 O4 | P -1 | 9.0005; 10.0381; 14.4894 108.432; 101.78; 90.484 | 1212 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545843 | CIF | C29 H31 N3 O2 | P -1 | 8.9943; 9.5169; 14.927 74.162; 77.589; 89.115 | 1199.2 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545844 | CIF | C62 H54 N6 O4 | P -1 | 9.034; 9.889; 14.505 107.761; 101.019; 91.432 | 1206.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545845 | CIF | C54 H54 N6 O6 | P -1 | 8.6332; 9.0194; 14.869 105.2; 91.263; 91.519 | 1116.4 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545846 | CIF | C44 H44 N6 O6 | P -1 | 7.812; 8.763; 14.3 95.009; 95.415; 101.04 | 950.9 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545847 | CIF | C56 H56 N6 O8 | P -1 | 10.151; 11.2084; 12.3363 102.012; 105.153; 112.368 | 1176.1 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545848 | CIF | C38 H46 N4 O4 S2 | P -1 | 8.662; 10.289; 11.523 65.003; 76.93; 80.277 | 903.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545849 | CIF | C24 H23 N2 O2 | P -1 | 8.971; 10.078; 11.666 109.665; 94.353; 90.742 | 989.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545850 | CIF | C42 H58 N4 O4 | P 1 21/c 1 | 11.4579; 11.8325; 14.9792 90; 107.229; 90 | 1939.7 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545851 | CIF | C46 H44 N6 O4 | P -1 | 8.983; 12.712; 17.561 89.485; 76.291; 82.933 | 1933 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545852 | CIF | C23 H22 N3 O2 | P -1 | 8.778; 10.491; 12.095 66.387; 81.548; 69.631 | 956.7 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545853 | CIF | C46 H50 N4 O4 | P -1 | 8.921; 10.723; 10.954 67.417; 81.183; 78.367 | 944.3 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545854 | CIF | C40 H48 N6 O6 | P -1 | 8.284; 8.564; 14.6 78.65; 87.26; 64.4 | 915 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!