Crystallography Open Database
Search results
Result: there are 669 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 'New J. Chem.' volume of publication is 39
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7055064 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 8.9803; 10.8526; 14.8181 90; 92.763; 90 | 1442.49 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055065 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 9.0978; 22.1735; 7.9449 90; 101.946; 90 | 1568.02 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055066 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 8.3764; 23.2362; 7.9755 90; 103.567; 90 | 1509 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055067 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 11.2958; 14.0246; 10.4868 90; 115.258; 90 | 1502.48 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055068 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 12.3185; 7.9401; 15.4912 90; 90.168; 90 | 1515.19 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055069 | CIF | C16 H11 F6 N O | P -1 | 8.9977; 10.8088; 16.672 105.291; 98.901; 102.688 | 1486.36 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055070 | CIF | C13 H16 I2 O2 | P 1 21/c 1 | 10.7818; 10.2566; 14.5072 90; 109.917; 90 | 1508.32 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055071 | CIF | C13 H16 I2 O2 | P 1 21/n 1 | 11.3978; 7.2145; 18.1044 90; 98.253; 90 | 1473.3 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055072 | CIF | C8 H6 I2 | C 1 2/c 1 | 10.1365; 15.9425; 5.7295 90; 94.279; 90 | 923.31 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055073 | CIF | C14 H10 I2 | P 1 21/n 1 | 5.7078; 17.4128; 7.0077 90; 110.984; 90 | 650.3 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055074 | CIF | C6 H6 I2 O4 | P 1 21/c 1 | 8.6795; 7.5937; 8.552 90; 108.798; 90 | 533.59 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055075 | CIF | C9 H8 I2 O | I 41/a | 23.9673; 23.9673; 7.5322 90; 90; 90 | 4326.7 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055076 | CIF | C11 H10 I2 O2 | P 1 21/n 1 | 12.8366; 7.0467; 14.279 90; 96.053; 90 | 1284.42 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055077 | CIF | C9 H8 I2 | P 1 21/c 1 | 18.9368; 7.607; 22.9348 90; 109.349; 90 | 3117.2 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055078 | CIF | C10 H8 I2 O2 | C 1 2/c 1 | 20.5998; 7.1799; 18.253 90; 120.835; 90 | 2318.1 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055080 | CIF | C20 H16 N4 O5 S | P 1 21/n 1 | 6.1217; 24.779; 12.246 90; 98.345; 90 | 1837.9 | Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L. Saccharin salts of biologically active hydrazone derivatives New J. Chem., 2015, 39, 8614 |
| 7055081 | CIF | C21 H18 N4 O6 S | P 1 21/n 1 | 6.1904; 26.105; 12.4015 90; 100.464; 90 | 1970.8 | Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L. Saccharin salts of biologically active hydrazone derivatives New J. Chem., 2015, 39, 8614 |
| 7055082 | CIF | C42 H30 Cl6 N6 O11 Pd3 | R -3 :H | 18.766; 18.766; 24.688 90; 90; 120 | 7529.4 | Karami, Kazem; Lighvan, Zohreh Mehri; Barzani, Somayeh Asgari; Faal, Ali Yeganeh; Poshteh-Shirani, Marziyeh; Khayamian, Taghi; Eigner, Václav; Dušek, Michal Design and synthesis of a novel trinuclear palladium(ii) complex containing an oxime chelate ligand: determining the interaction mechanism with the DNA groove and BSA site I by spectroscopic and molecular dynamics simulation approaches New J. Chem., 2015, 39, 8708 |
| 7055083 | CIF | C73 H71 N11 O10.5 Yb | P 1 21/c 1 | 24.539; 20.456; 15.357 90; 97.384; 90 | 7645 | Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series New J. Chem., 2015, 39, 8650 |
| 7055084 | CIF | C53 H44 F6 N5 O8 S2 Yb | P -1 | 13.003; 14.986; 15.684 117.719; 95.949; 92.878 | 2674.1 | Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series New J. Chem., 2015, 39, 8650 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!