School of Chemistry

A concise synthesis of a highly substituted 6-(1H-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates (crystallography data)

Cobo, J. (Creator), Vicentes, D. E. (Creator), Rodríguez, R. (Creator), Marchal, A. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2018

https://doi.org/10.5517/ccdc.csd.cc1ztv4s and one more link, https://doi.org/10.5517/ccdc.csd.cc1ztv5t (show fewer)

Dataset

Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene (crystallography data)

Sagar, B. K. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2018

https://dx.doi.org/10.5517/ccdc.csd.cc1qbgq7 and 4 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1qbgl3, https://dx.doi.org/10.5517/ccdc.csd.cc1qbgm4, https://dx.doi.org/10.5517/ccdc.csd.cc1qbgn5, https://dx.doi.org/10.5517/ccdc.csd.cc1qbgp6 (show fewer)

Dataset

(E)-2-ethyl-N-(4-nitrobenzylidene)aniline: CCDC 1853291: Experimental Crystal Structure Determination

Girisha, M. (Creator), Sagar, B. K. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 3 Jul 2018

https://dx.doi.org/10.5517/ccdc.csd.cc206hlb

Dataset

Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions (crystallography data)

Sagar, B. K. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2018

https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:1816125-1816131

Dataset

Simultaneous neutron powder diffraction and microwave dielectric studies of ammonia absorption in metal-organic framework systems (dataset)

Barter, M. (Creator), Hartley, J. (Creator), Yazigi, F. (Creator), Marshall, R. J. (Creator), Forgan, R. S. (Creator), Porch, A. (Creator) & Jones, M. O. (Creator), University of Cardiff, 20 Feb 2019

DOI: 10.17035/d.2018.0046822874

Dataset

Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O-H···O hydrogen bond with chlorprothixene (dataset)

Shaibah, M. A. E. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator), Furuya, T. (Creator), Haraguchi, T. (Creator), Akitsu, T. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2019

https://doi.org/10.5517/ccdc.csd.cc217fnd and one more link, https://doi.org/10.5517/ccdc.csd.cc217fpf (show fewer)

Dataset

A very short O—H⋯O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate) (dataset)

Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2020

https://dx.doi.org/10.5517/ccdc.csd.cc261hb3

Dataset

Mechanistic study of Ru-NHC-catalyzed hydrodefluorination of fluoropyridines: the influence of the NHC on the regioselectivity of C–F activation and chemoselectivity of C–F versus C–H bond cleavage (dataset)

McKay, D. (Creator), Riddlestone, I. M. (Creator), Macgregor, S. A. (Creator), Mahon, M. F. (Creator) & Whittlesey, M. K. (Creator), Cambridge Crystallographic Data Centre, 2015

https://dx.doi.org/10.5517/cc138v4c

Dataset

CCDC 2242533 - 2242537: Experimental Crystal Structure Determination

Vera, D. R. (Creator), Ardila, D. M. (Creator), Palma, A. (Creator), Cobo, J. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2023

DOI: 10.5517/ccdc.csd.cc2f8js1, https://dx.doi.org/10.5517/ccdc.csd.cc2f8jx5 and 3 more links, https://dx.doi.org/10.5517/ccdc.csd.cc2f8jt2, https://dx.doi.org/10.5517/ccdc.csd.cc2f8jv3, https://dx.doi.org/10.5517/ccdc.csd.cc2f8jw4 (show fewer)

Dataset

CCDC 2051069 & 2051070: Experimental Crystal Structure Determination

Gasperini, D. (Creator), Neale, S. E. (Creator), Mahon, M. F. (Creator), Macgregor, S. A. (Creator) & Webster, R. L. (Creator), Cambridge Crystallographic Data Centre, 2021

DOI: 10.5517/ccdc.csd.cc26v9jx, https://dx.doi.org/10.5517/ccdc.csd.cc26v9ky

Dataset

CCDC 1913188 - 1913192: Experimental Crystal Structure Determination

Alharis, R. A. (Creator), McMullin, C. L. (Creator), Davies, D. L. (Creator), Singh, K. (Creator) & Macgregor, S. A. (Creator), Cambridge Crystallographic Data Centre, 2019

DOI: 10.5517/ccdc.csd.cc226trw, https://dx.doi.org/10.5517/ccdc.csd.cc226tsx and 3 more links, https://dx.doi.org/10.5517/ccdc.csd.cc226tsx, https://dx.doi.org/10.5517/ccdc.csd.cc226tvz, https://dx.doi.org/10.5517/ccdc.csd.cc226tw0 (show fewer)

Dataset

CCDC 1477871 & 1477872: Experimental Crystal Structure Determination

Mifleur, A. (Creator), Mérel, D. S. (Creator), Mortreux, A. (Creator), Suisse, I. (Creator), Capet, F. (Creator), Trivelli, X. (Creator), Sauthier, M. (Creator) & Macgregor, S. A. (Creator), Cambridge Crystallographic Data Centre, 2017

DOI: 10.5517/ccdc.csd.cc1llv89, https://dx.doi.org/10.5517/ccdc.csd.cc1llv9b

Dataset

CCDC 1836299 - 1836208: Experimental Crystal Structure Determination

McKay, A. I. (Creator), Martínez-Martínez, A. J. (Creator), Griffiths, H. J. (Creator), Rees, N. H. (Creator), Waters, J. B. (Creator), Weller, A. S. (Creator), Krämer, T. (Creator) & Macgregor, S. A. (Creator), Cambridge Crystallographic Data Centre, 2018

DOI: 10.5517/ccdc.csd.cc1zmtgw, https://dx.doi.org/10.5517/ccdc.csd.cc1zmthx and 8 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtjy, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtkz, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtl0, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtm1, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtn2, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtp3, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtq4, https://dx.doi.org/10.5517/ccdc.csd.cc1zmtr5 (show fewer)

Dataset

CCDC 2035752 &2035753: Experimental Crystal Structure Determination

Furfari, S. K. (Creator), Tegner, B. E. (Creator), Burnage, A. L. (Creator), Doyle, L. R. (Creator), Bukvic, A. J. (Creator), Macgregor, S. A. (Creator) & Weller, A. S. (Creator), Cambridge Crystallographic Data Centre, 2021

DOI: 10.5517/ccdc.csd.cc26bcfc, https://dx.doi.org/10.5517/ccdc.csd.cc26bcgd

Dataset

CCDC 1462890 - 1462892: Experimental Crystal Structure Determination

Häller, L. J. L. (Creator), Mas-Marzá, E. (Creator), Cybulski, M. K. (Creator), Sanguramath, R. A. (Creator), Macgregor, S. A. (Creator), Mahon, M. F. (Creator), Raynaud, C. (Creator), Russell, C. A. (Creator) & Whittlesey, M. K. (Creator), Cambridge Crystallographic Data Centre, 2017

DOI: 10.5517/ccdc.csd.cc1l380z, https://dx.doi.org/10.5517/ccdc.csd.cc1l3810 and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc1l3821 (show fewer)

Dataset

Li@C60 as a multi-state molecular switch (dataset)

Chandler, H. J. (Creator), Stefanou, M. (Creator), Campbell, E. E. B. (Creator) & Schaub, R. (Creator), University of St Andrews, 30 Apr 2019

DOI: 10.17630/d440ef8d-6ccf-4fc4-aa37-0c601eb165a3

Dataset

File

Sublimation of Li@C60 (dataset)

Schaub, R. (Creator), University of Edinburgh, 2020

DOI: 10.7488/ds/2804

Dataset

Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehyes

Kamer, P. C. J. (Owner), Jarvis, A. (Creator), Gibson, E. (Contributor) & Wells, P. (Contributor), University of St Andrews, 6 Nov 2017

DOI: 10.17630/03fa38f2-b858-4fff-a478-83e61672955c

Dataset

File

Crystal structure of the siderophore receptor PiuD from Pseudomonas aeruginosa

Moynié, L. (Creator) & Naismith, J. H. (Creator), Protein Data Bank (PDB), 7 Feb 2018

DOI: 10.2210/pdb5NEC/pdb, https://www.rcsb.org/structure/5NEC

Dataset

5FNV a new complex structure of tubulin with an alpha-beta unsaturated lactone

Wang, Y. (Creator), Naismith, J. H. (Creator) & Zhu, X. (Creator), Protein Data Bank (PDB), 18 May 2016

DOI: 10.2210/pdb5FNV/pdb, https://www.rcsb.org/structure/5FNV

Dataset

3′-O-β-Glucosyl-4′,5′-didehydro-5′-deoxyadenosine Is a Natural Product of the Nucleocidin Producers Streptomyces virens and Streptomyces calvus (code)

Feng, X. (Creator), University of St Andrews, 5 Sept 2024

DOI: 10.17630/db73578e-2889-4ee4-a897-e257da2a8b5b

Dataset: Software

File

Zwitterionic Alkali-Metal Silanides of Tripodal Ligand Geometry: Synthesis, Structure, and Lewis Acid-Base Chemistry (crystallography dataset)

Thalangamaarachchige, V. D. (Creator), Li, H. (Creator), Cordes, D. B. (Creator), Unruh, D. K. (Creator) & Krempner, C. (Creator), Cambridge Crystallographic Data Centre, 1 May 2014

Dataset

Structural diversity in tetrakis(4-pyridyl)porphyrin supramolecular building blocks (dataset)

Mishra, M. K. (Creator), Choudhary, H. (Creator), Cordes, D. B. (Creator), Kelley, S. (Creator) & Rogers, R. (Creator), Cambridge Crystallographic Data Centre, 2019

https://dx.doi.org/10.5517/ccdc.csd.cc21yd4k and 6 more links, https://dx.doi.org/10.5517/ccdc.csd.cc21yd5l, https://dx.doi.org/10.5517/ccdc.csd.cc21yd7n, https://dx.doi.org/10.5517/ccdc.csd.cc21yd8p, https://dx.doi.org/10.5517/ccdc.csd.cc21yd9q, https://dx.doi.org/10.5517/ccdc.csd.cc21ydbr, https://dx.doi.org/10.5517/ccdc.csd.cc21yd6m (show fewer)

Dataset

CCDC 2270745: Experimental Crystal Structure Determination

Dobson, L. S. (Creator), Zhang, Q. (Creator), McKay, B. A. (Creator), Oke, O. (Creator), Isanbor, C. (Creator), Khan, M. F. (Creator), Piscelli, B. A. (Creator), Cordes, D. B. (Creator), Cormanich, R. A. (Creator), Murphy, C. D. (Creator) & O’Hagan, D. (Creator), Cambridge Crystallographic Data Centre, 2023

DOI: 10.5517/ccdc.csd.cc2g6wvf

Dataset

Fluorine containing cyclopropanes: synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif (dataset)

Cordes, D. B. (Creator), Cambridge Crystallographic Data Centre, 2019

http://dx.doi.org/10.5517/ccdc.csd.cc2362t7 and 4 more links, http://dx.doi.org/10.5517/ccdc.csd.cc2362v8, http://dx.doi.org/10.5517/ccdc.csd.cc2362w9, http://dx.doi.org/10.5517/ccdc.csd.cc2362xb, http://dx.doi.org/10.5517/ccdc.csd.cc236qxz (show fewer)

Dataset

School of Chemistry

Datasets

Search results