Crystallography Open Database

Result: there are 194 entries in the selection

Switch to the old layout of the page

Download 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 'CrystEngComm' volume of publication is 7

Left arrow Left arrow First | Left arrow Previous 20 | of 10 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Blue up arrow Bibliography
7216065 CIFC4 H4 N2 O3P -14.6195; 7.0493; 7.3452
88.169; 81.504; 86.245		235.998Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.
Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test
CrystEngComm, 2005, 7, 421
7238097 CIFC14 H24 O4P -15.958; 5.994; 9.867
86.177; 82.547; 73.2		334.3Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam
Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol
CrystEngComm, 2005, 7, 398
7203722 CIFC6 H12 N2 O3P -16.9376; 7.445; 9.1267
97.732; 103.958; 115.766		396.24Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.
An exploration of the polymorphism of piracetam using high pressure
CrystEngComm, 2005, 7, 179
7216059 CIFC16 H16 Cl2 N4 O2P -14.9382; 9.1344; 10.2335
110.667; 91.904; 98.093		425.88Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid
Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions
CrystEngComm, 2005, 7, 633
7216058 CIFC18 H18 Cl2 N2 O2P -14.9715; 9.162; 10.233
109.757; 92.325; 98.082		432.4Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid
Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions
CrystEngComm, 2005, 7, 633
7216063 CIFC4 H3 N O3P 1 21/c 17.7407; 5.5405; 10.4926
90; 103.643; 90		437.303Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.
Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test
CrystEngComm, 2005, 7, 421
7216127 CIFC10 H11 N O2 SP -15.6059; 7.9101; 11.9617
99.223; 101.517; 100.21		500.87Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.
Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides
CrystEngComm, 2005, 7, 682
7203794 CIFC3 H15 N6 P SP 639.1213; 9.1213; 7.1103
90; 90; 120		512.31Chandrasekhar, Vadapalli; Azhakar, Ramachandran
A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}
CrystEngComm, 2005, 7, 346
7238129 CIFC10 H18 O6P -16.1134; 7.6139; 11.668
102.319; 97.916; 91.829		524.49Mehta, Goverdhan; Sen, Saikat
Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’
CrystEngComm, 2005, 7, 656
7216061 CIFC8 H14 N4 O SP -16.45; 9.401; 9.965
76.674; 76.909; 70.19		545.9Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru
Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions
CrystEngComm, 2005, 7, 374
7216064 CIFC4 H5 N O4P n m a14.4737; 6.003; 6.3626
90; 90; 90		552.818Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.
Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test
CrystEngComm, 2005, 7, 421
7238107 CIFC8 H11 Cl2 N Pt SeP -17.9398; 8.2908; 8.5591
83.699; 87.174; 86.834		558.63Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David
Hydrogen-bonded networks from novel platinum(ii) dimers
CrystEngComm, 2005, 7, 701
7216105 CIFC30 H24 N4P -15.336; 10.8324; 11.4215
66.689; 78.508; 81.096		592.02Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz
Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines
CrystEngComm, 2005, 7, 433
7216125 CIFC8 H12 N6 O6P 1 21/c 13.641; 9.363; 17.51
90; 92.5; 90		596.4Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard
An unexpected network in guanidinium rhodizonate
CrystEngComm, 2005, 7, 629
7203723 CIFC6 H10 N2 O2P 1 21/c 18.9537; 5.4541; 13.61
90; 104.93; 90		642.2Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.
An exploration of the polymorphism of piracetam using high pressure
CrystEngComm, 2005, 7, 179
7203746 CIFC12 H10 Cl2 N2 O4C 1 2 112.9485; 5.9793; 8.6189
90; 96.16; 90		663.45Custelcean, Radu; Gorbunova, Maryna G.
Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions
CrystEngComm, 2005, 7, 297
7203745 CIFC12 H13 Cl N2 O6P 1 2/n 110.665; 6.222; 11.579
90; 116.74; 90		686.2Custelcean, Radu; Gorbunova, Maryna G.
Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions
CrystEngComm, 2005, 7, 297
7203709 CIFC12 H10 Cl2 Cu N2 O5P -17.2504; 9.346; 11.785
108.4; 98.483; 108.72		689.6Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.
The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]
CrystEngComm, 2005, 7, 90
7216111 CIFC20 H32 Cl2 Co N4 O12P -16.7328; 10.2841; 10.6577
85.2; 70.023; 91.103		690.21Bourne, Susan A.; Moitsheki, Lesego J.
Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide
CrystEngComm, 2005, 7, 674
7203724 CIFC6 H10 N2 O2P 1 21/n 16.7254; 13.2572; 8.0529
90; 98.603; 90		709.92Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.
An exploration of the polymorphism of piracetam using high pressure
CrystEngComm, 2005, 7, 179

Left arrow Left arrow First | Left arrow Previous 20 | of 10 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.