Datasets
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Search results
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underpinning data: Isomerisation versus carbonylative pathways in the hydroxy-carbonylation, methoxy-carbonylation, and amino-carbonylation of N-tosyl 3-pyrroline.
Fuentes, J. A. (Creator), Durrani, J. (Creator), Leckie, S. M. (Creator), Crawford, L. (Creator), Buehl, M. (Creator) & Clarke, M. (Creator), University of St Andrews, 29 Aug 2016
DOI: 10.17630/bc6e299a-35e0-410c-9119-20559f0ffdad
Dataset
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Synthetic and Structural Study of peri-Substituted Phosphine-Arsines (dataset)
Kilian, P. (Creator), Chalmers, B. A. (Data Collector), Somisara, U. (Data Collector), Surgenor, B. A. (Contributor), Athukorala Arachchige, K. S. (Data Collector), Woollins, J. D. (Contributor), Buehl, M. (Contributor) & Slawin, A. M. Z. (Data Collector), University of St Andrews, 29 Nov 2021
DOI: 10.17630/7bae9495-1422-4bae-aa2b-d160ce8c1d3f
Dataset
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Data underpinning - Crystal structure of 2-benzoylamino-it N'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide
Subbulakshmi, K. N. (Creator), Narayana, B. (Creator), Yathirajan, H. S. (Creator), Jasinski, J. P. (Creator), Rathore, R. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2016
DOI: 10.5517/ccdc.csd.cc1m1mhs, http://dx.doi.org/10.5517/ccdc.csd.cc1m1mhs
Dataset
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A versatile synthesis of cyclic dipeptides using the stepwise construction of the piperazine-2,5-dione ring from simple precursors: synthetic sequence and the structure of a representative product, (3RS)-4-(2-allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione (crystallography data)
Acosta Quintero, L. M. (Creator), Palma, A. (Creator), Cobo, J. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2018
https://doi.org/10.5517/ccdc.csd.cc1ywx0r
Dataset
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Two novel self-interpenetrating 3D iron(II) coordination frameworks: synthesis, spectroscopic and structural characterizations with magnetic properties (dataset)
Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2020
https://dx.doi.org/10.5517/ccdc.csd.cc1kj0dh and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc1kj0fj (show fewer)
Dataset
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Crystal structures of N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylamine and N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylammonium 2,4,6-trinitrophenolate (dataset)
Shaibah ( Mohammed A. E. Shaibah), M. A. E. (Creator), Yathirajan (Hemmige S. Yathirajan), H. S. (Creator), Kumar (S. Madan Kumar), S. M. (Creator), Byrappa, K. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 11 Sept 2017
https://dx.doi.org/10.5517/ccdc.csd.cc1pflb1 and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc1pfl90 (show fewer)
Dataset
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Two different products from the reaction of 1-aryl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl (dataset)
Hernandez, J. O. (Creator), Portilla, J. (Creator), Cobo, J. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2015
https://dx.doi.org/10.5517/cc14gl9h and one more link, https://dx.doi.org/10.5517/cc14glbj (show fewer)
Dataset
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Finding and proving the exact ground state of a generalized Ising model by convex optimization and MAX-SAT (dataset)
Huang, W. (Creator), Kitchaev, D. A. (Creator), Dacek, S. T. (Creator), Rong, Z. (Creator), Urban, A. (Creator), Cao, S. (Creator), Luo, C. (Creator) & Ceder, G. (Creator), GitHub, 26 Oct 2016
https://github.com/dkitch/maxsat-ising
Dataset
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Crystal structures of five (2-chloro-quinolin-3-yl)methyl ethers: supra-molecular assembly in one and two dimensions mediated by hydrogen bonding and π-π stacking (dataset)
Sowmya, H. B. V. (Creator), Suresha Kumara, T. H. (Creator), Gopalpur, N. (Creator), Jasinski, J. P. (Creator), Millikan, S. P. (Creator), Yathirajan, H. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2015
https://dx.doi.org/10.5517/cc14n183 and 4 more links, https://dx.doi.org/10.5517/cc14n194, https://dx.doi.org/10.5517/cc14n1b5, https://dx.doi.org/10.5517/cc129jmj, https://dx.doi.org/10.5517/cc129jnk (show fewer)
Dataset
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CCDC 2213571 & 2213573: Experimental Crystal Structure Determination
Ardila, D. M. (Creator), Rodríguez, D. F. (Creator), Palma, A. (Creator), Diaz, I. (Creator), Cobo, J. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2022
DOI: 10.5517/ccdc.csd.cc2d9djn, https://dx.doi.org/10.5517/ccdc.csd.cc2d9dkp and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc2d9dlq (show fewer)
Dataset
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Four 1-aryl-1 H -pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding (dataset)
Asma, A. (Creator), Kalluraya, B. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 8 Nov 2018
https://dx.doi.org/10.5517/ccdc.csd.cc2113qy and 3 more links, https://dx.doi.org/10.5517/ccdc.csd.cc2113rz, https://dx.doi.org/10.5517/ccdc.csd.cc2113s0, https://dx.doi.org/10.5517/ccdc.csd.cc2113t1 (show fewer)
Dataset
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Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products (dataset)
Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2023
https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:2258807 and 5 more links, https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:2258808, https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:2258809, https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:2258810, https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:2258811, https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:2258812 (show fewer)
Dataset
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Eight Schiff bases derived from various salicylaldehydes: phenol–imine and keto–amine forms, conformational disorder, and supramolecular assembly in one and two dimensions (crystallography data)
Girisha, M. (Creator), Sagar, B. K. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator), Kaur, M. (Creator), Jasinski, J. P. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2018
https://dx.doi.org/10.5517/ccdc.csd.cc20l4j9 and 7 more links, https://dx.doi.org/10.5517/ccdc.csd.cc20l4kb, https://dx.doi.org/10.5517/ccdc.csd.cc20l4b3, https://dx.doi.org/10.5517/ccdc.csd.cc20l4c4, https://dx.doi.org/10.5517/ccdc.csd.cc20l4d5, https://dx.doi.org/10.5517/ccdc.csd.cc20l4f6, https://dx.doi.org/10.5517/ccdc.csd.cc20l4g7, https://dx.doi.org/10.5517/ccdc.csd.cc20l4h8 (show fewer)
Dataset
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Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions (crystallography data)
Mahesha, N. (Creator), Sagar, B. K. (Creator), Yathirajan, H. 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.cc21fdb7 and 2 more links, https://doi.org/10.5517/ccdc.csd.cc21fdc8, https://doi.org/10.5517/ccdc.csd.cc21fdd9 (show fewer)
Dataset
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The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π-π stacking interactions and I···N halogen bonds (crystallography data)
Mahesha, N. (Creator), Yathirajan, H. S. (Creator), Furuya, T. (Creator), Akitsu, T. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2019
https://dx.doi.org/10.5517/ccdc.csd.cc21b43n
Dataset
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CCDC 2204059: Experimental Crystal Structure Determination
Vera, D. R. (Creator), Mantilla, J. P. (Creator), Palma, A. (Creator), Cobo, J. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2022
DOI: 10.5517/ccdc.csd.cc2czhpk, https://dx.doi.org/10.5517/ccdc.csd.cc2czhql and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc2czhrm (show fewer)
Dataset
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Thionylimide and Related Systems (thesis data)
McGeachie, L. J. R. (Creator) & Woollins, J. D. (Supervisor), University of St Andrews, 21 Mar 2022
DOI: 10.17630/3740516e-691b-4ca2-89e0-3e465f8e2552, http://hdl.handle.net/10023/17872
Dataset: Thesis dataset
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Icosahedral metallacarborane/carborane species derived from 1,1[prime or minute]-bis(o-carborane) (dataset)
Thiripuranathar, G. (Creator), Man, W. Y. (Creator), Palmero, C. (Creator), Chan, A. P. Y. (Creator), Leube, B. T. (Creator), Ellis, D. (Creator), McKay, D. (Creator), Macgregor, S. A. (Creator), Jourdan, L. (Creator), Rosair, G. M. (Creator) & Welch, A. J. (Creator), Cambridge Crystallographic Data Centre, 2015
https://dx.doi.org/10.5517/cc13zfs9 and 4 more links, https://dx.doi.org/10.5517/cc13zftb, https://dx.doi.org/10.5517/cc13zfvc, https://dx.doi.org/10.5517/cc13zfwd, https://dx.doi.org/10.5517/cc13zfxf (show fewer)
Dataset
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Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-N-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-N-(pyrazin-2-yl)acetamide (dataset)
Narayana, B. (Creator), Yathirajan, H. S. (Creator), Rathore, R. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2016
https://dx.doi.org/10.5517/ccdc.csd.cc1m83xx and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc1m83yy (show fewer)
Dataset
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CCDC 2007901 & 2007902: Experimental Crystal Structure Determination
Chinthal, C. H. (Creator), Yathirajan, H. S. (Creator), Kadambar, A. K. (Creator), Kalluraya, B. (Creator), Foro, S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2022
DOI: 10.5517/ccdc.csd.cc25dd00, https://dx.doi.org/10.5517/ccdc.csd.cc25dd11
Dataset
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Crystal structures of (E)-1-{3-[(5-fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone (dataset)
Girisha, M. (Creator), Yathirajan, H. S. (Creator), Rathore, R. S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2 Nov 2017
https://dx.doi.org/10.5517/ccdc.csd.cc1q4yng and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc1q4ymf (show fewer)
Dataset
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Crystal structure of ebastinium 3,5-dinitrobenzoate (dataset)
Shaibah, M. A. E. (Creator), Sagar (Belakavadi K. Sagar), B. K. (Creator), Yathirajan (Hemmige S. Yathirajan), H. S. (Creator), Kumar, S. M. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 15 Sept 2017
https://dx.doi.org/10.5517/ccdc.csd.cc1pvmcj and one more link, http://dx.doi.org/10.1107/S205698901701324X (show fewer)
Dataset
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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
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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
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(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