Search results for "Fluorene"

showing 2 items of 82 documents

Geometrical and conformational preferences of the 9‐fluorenylmethoxycarbonyl‐amino moiety

2004

Structural parameters, originating from x-ray crystallographic data, have been compiled for 13 derivatives of amino acids, peptides and related compounds, which contain a total of 14 Fmoc-NH- moieties. For these moieties, molecular geometries and conformations--described by the omegao, theta1, theta2 and theta3' torsion angles--were analysed and compared with the corresponding parameters for the Z-NH- and Boc-NH-moieties (290 and 553, respectively). To gain a deeper insight into the conformational features of the Fmoc-NH- moiety, ab initio free molecule calculations were performed for fully relaxed minima. Also the potential energy surface as a function of the torsion angles (theta3', theta…

crystal structureStereochemistryAb initioMolecular ConformationCrystal structureCrystallography X-RayBiochemistryBoc amino protectionStructure-Activity RelationshipfluoreneStructural BiologyAb initio quantum chemistry methodsDrug DiscoveryMoleculeMoietyurethane geometryFmoc amino protectionAmino AcidsMolecular BiologyPharmacologyFluorenesMolecular StructureChemistryHydrogen bondab initio calculationsOrganic ChemistryHydrogen BondingGeneral MedicineZ amino protectionMolecular geometryPotential energy surfaceMolecular MedicineCrystallizationPeptidesN‐terminally protected peptidesJournal of Peptide Science
researchProduct

5,8,13,13-Tetrachloro-13H-dibenzo[a,i]fluorene cyclohexane hemisolvate

2019

In the crystal structure of the solvated pentacyclic title compound, C21H10Cl4·0.5C6H12, the pentacyclic chloroaromatic rings are arranged in parallel layers, with the chlorine atoms protruding from these planes. Channels orthogonal to these layers are filled with disordered cyclohexane molecules.

crystal structurebiology010405 organic chemistryChlorine atomchemistry.chemical_elementGeneral MedicineCrystal structuredisorderFluorene010402 general chemistrybiology.organism_classification01 natural sciencesMedicinal chemistry0104 chemical sciencesHexanechemistry.chemical_compoundchemistrychlorineChlorinelcsh:QD901-999Tetralcsh:Crystallographypolycyclic aromaticsIUCrData
researchProduct