Search results for " Thiophene"

showing 5 items of 15 documents

CCDC 684618: Experimental Crystal Structure Determination

2015

Related Article: Daniel Aravena, Zulema Arcís Castillo, M. Carmen Muñoz, Ana B. Gaspar, Ko Yoneda, Ryo Ohtani, Akio Mishima, Susumu Kitagawa, Masaaki Ohba, José Antonio Real, Eliseo Ruiz|2014|Chem.-Eur.J.|20|12864|doi:10.1002/chem.201402292

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(octakis(mu2-Cyano-CN)-bis(mu2-pyrazine)-di-iron-di-platinum thiophene solvate)Experimental 3D Coordinates
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CCDC 1050041: Experimental Crystal Structure Determination

2015

Related Article: Lucía Piñeiro-López, Zulema Arcís-Castillo, M. Carmen Muñoz, and José A. Real|2014|Cryst.Growth Des.|14|6311|doi:10.1021/cg5010616

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu-246-tri(pyridin-4-yl)-135-triazine)-dodecakis(mu-cyano)-tri-iron-hexa-gold thiophene solvate]Cell ParametersExperimental 3D Coordinates
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CCDC 1050040: Experimental Crystal Structure Determination

2015

Related Article: Lucía Piñeiro-López, Zulema Arcís-Castillo, M. Carmen Muñoz, and José A. Real|2014|Cryst.Growth Des.|14|6311|doi:10.1021/cg5010616

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu-246-tri(pyridin-4-yl)-135-triazine)-dodecakis(mu-cyano)-tri-iron-hexa-gold thiophene solvate]Cell ParametersExperimental 3D Coordinates
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CCDC 1050036: Experimental Crystal Structure Determination

2015

Related Article: Lucía Piñeiro-López, Zulema Arcís-Castillo, M. Carmen Muñoz, and José A. Real|2014|Cryst.Growth Des.|14|6311|doi:10.1021/cg5010616

Space GroupCrystallographycatena-[bis(mu-246-tri(pyridin-4-yl)-135-triazine)-dodecakis(mu-cyano)-tri-iron-hexa-silver thiophene solvate]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Crystal structure of (2E)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one

2017

In the title chalcone-thio­phene derivative, the dihedral angle between the aromatic and the thio­phene rings is 11.4 (2)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯S weak inter­actions along [100], forming rings of R22(8) graph-set motif, by C—H⋯O weak inter­actions along [010], forming C(6) chains, and by weak H(meth­yl–group)⋯Cg(thio­phene ring) inter­actions into dimers; the crystal packing resembles a herringbone arrangement when viewed along [100]. A mol­ecular docking calculation of the title compound with the neuraminidase enzyme was carried out.

crystal structureCrystallographyin silico evaluationStereochemistryChemistryThio-General ChemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter Physicschalcone thiophene derivative01 natural sciencesResearch Communications0104 chemical sciencesCrystallographyQD901-999Hirshfeld surface analysisGeneral Materials Sciencechalcone thio­phene derivativeActa Crystallographica Section E Crystallographic Communications
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