Crystallography Open Database

Result: there are 111 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 'Acta Crystallographica Section C Structural Chemistry' volume of publication is 79

Left arrow Left arrow First | Left arrow Previous 20 | of 6 | 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 Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2022700 CIF
HKL
Paper
C8 H17 Cl N6 OC 1 2/c 119.294; 9.4173; 13.743
90; 108.57; 90
2367.1Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022701 CIF
HKL
Paper
C4 H7 N3P -15.9577; 6.7494; 6.8249
101.641; 104.225; 111.425
234.36Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022702 CIF
HKL
Paper
C4 H6 N2 OP 1 21/n 17.3685; 8.0074; 8.4211
90; 115.741; 90
447.56Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022703 CIF
HKL
Paper
C5 H8 N2 OP -16.3296; 7.0222; 7.351
84.975; 71.693; 63.889
278.05Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022704 CIF
HKL
Paper
C6 H13 N3 OP 1 21/c 19.4887; 14.5341; 12.2828
90; 111.32; 90
1578Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 133-141
2022705 CIF
HKL
Paper
C4 H2 Cl N O2 SP 1 21 19.7839; 10.2313; 18.272
90; 97.125; 90
1814.9George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022706 CIF
HKL
Paper
C3 H4 Br2 Cl N OP 1 21 16.5967; 24.1942; 9.1724
90; 91.904; 90
1463.12George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022707 CIF
HKL
Paper
C10 H7 Br2 N O2 SP c a 217.1195; 16.4402; 9.7821
90; 90; 90
1144.96George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.
Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 125-132
2022776 CIF
HKL
Paper
C18 H14 N2 OP c a 219.1548; 9.7791; 15.6336
90; 90; 90
1399.61Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen
Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis
Acta Crystallographica Section C Structural Chemistry, 2023, 79, 292-304
2022777 CIF
HKL
Paper
C32 H30 N2 O3P -110.7065; 10.9434; 12.8256
69.029; 82.871; 67.515
1296.37Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen
Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis
Acta Crystallographica Section C Structural Chemistry, 2023, 79, 292-304
2022834 CIF
HKL
Paper
C8 H7 N3 O2P 1 21/c 17.6327; 9.5561; 11.2899
90; 104.095; 90
798.68Decato, Daniel; Jahnke, Michael; Berryman, Orion
Conformational polymorphism of 3-(azidomethyl)benzoic acid
Acta Crystallographica Section C Structural Chemistry, 2023, 79
2022835 CIF
Paper
C8 H7 N3 O2P 1 21/n 13.7712; 6.1229; 34.868
90; 93.099; 90
803.95Decato, Daniel; Jahnke, Michael; Berryman, Orion
Conformational polymorphism of 3-(azidomethyl)benzoic acid
Acta Crystallographica Section C Structural Chemistry, 2023, 79
2022836 CIF
HKL
Paper
C8 H7 N3 O2P -13.8029; 9.9199; 11.5709
66.828; 82.168; 82.245
395.96Decato, Daniel; Jahnke, Michael; Berryman, Orion
Conformational polymorphism of 3-(azidomethyl)benzoic acid
Acta Crystallographica Section C Structural Chemistry, 2023, 79
2022847 CIF
HKL
Paper
C40 H40 Cl2 F6 N P2 Pt S SbP 21 21 2112.9774; 18.3039; 18.2877
90; 90; 90
4344Faller, Jack; Parr, Jonathan
Hemilability and structural considerations in complexes of platinum(II) comprising bis(diphenylphosphanyl)methane monoxide, monosulfide, and monoselenide
Acta Crystallographica Section C Structural Chemistry, 2023, 79
2312035 CIF
Paper
C16 H10 F4 I2 N2 S2P 1 21/c 116.288; 5.79; 10.546
90; 104.77; 90
961.7Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar
Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 112-117
2312036 CIF
Paper
C11 H12 Cl2 N2 S2F 2 d d8.0815; 17.2161; 18.9254
90; 90; 90
2633.1Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar
Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 112-117
2312037 CIF
HKL
Paper
C14 H23 F I Nb Si2C 1 2/c 115.1427; 8.9369; 26.143
90; 98.304; 90
3500.8Rodriguez, Sara M.; Motta, Ysidro N.; Hill, Michael R.; Oelke, Laura M.; Carter, Carly C.; Cundari, Thomas R.; Yousufuddin, Muhammed
Crystal structure and DFT calculations of Cp<sub>2</sub>NbH(SiIMe<sub>2</sub>)(SiFMe<sub>2</sub>): an asymmetric bis(silyl) niobocene hydride complex.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 158-163
2312038 CIF
HKL
Paper
C21 H25 Cu2 N3 O4P -18.0549; 9.8811; 13.7189
106.451; 103.271; 91.482
1014.4Ranaweera, Samantha A.; Donnadieu, Bruno; Henry, William P.; White, Mark G.
Effects of electron-donating ability of binding sites on coordination number: the interactions of a cyclic Schiff base with copper ions.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 142-148
2312039 CIF
HKL
Paper
C29 H18 F4 N4 O4P 1 21/c 123.8353; 6.8067; 16.6103
90; 109.104; 90
2546.43Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.
π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 149-157
2312040 CIF
HKL
Paper
C29 H18 F4 N4 O4P b c n13.131; 14.423; 26.523
90; 90; 90
5023Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.
π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 149-157

Left arrow Left arrow First | Left arrow Previous 20 | of 6 | 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!