Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 4727-72-4, Name is 1-Benzylpiperidin-4-ol, molecular formula is C12H17NO, belongs to piperidines compound, is a common compound. In a patnet, author is Owczarzak, Agata, once mentioned the new application about 4727-72-4, Quality Control of 1-Benzylpiperidin-4-ol.
Different cationic forms of (-)-cytisine in the crystal structures of its simple inorganic salts
The crystal structures of 13 simple salts of cytisine, an alkaloid isolated from the seeds of Laburnum anagyroides, have been determined, namely cytisinium (6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)] trideca-2,4-dien-11-ium) bromide, C11H15N2O (+)center dot Br-, cytisinium iodide, C11H15N2O+center dot I-, cytisinium perchlorate, C11H15N2O+center dot ClO4-, cytisinium iodide triiodide, C11H15N2O+center dot I-I3-, cytisinium chloride monohydrate, C11H15N2O+center dot Cl-center dot H2O, cytisinium iodide monohydrate, C11H15N2O+center dot I-center dot H2O, cytisinium nitrate monohydrate, C11H15N2O+center dot NO3-center dot H2O, hydrogen dicytisinium tribromide, C(11)H(15)N(4)O2(3+)center dot 3Br, hydrogen dicytisinium triiodide, C22H31N4O23+center dot 3I(-), hydrogen dicytisinium triiodide diiodide, C22H31N4O23+center dot I-3(-)center dot 2I(-), hydrogen dicytisinium bis(triiodide) iodide, C22H31N4O23+center dot-2I(3)(-)center dot I-, cytisinediium (6-oxidaniumylidene- 7,11-diazatricyclo[7.3.1.0(2,7)] trideca2,4-dien-11-ium) bis(perchlorate), C11H16N2O2+center dot 2ClO(4)(-), and cytisinediium dichloride trihydrate, C11H16N2O2+center dot 2Cl(-)center dot 3H(2)O. Cytisine has two potential protonation sites, i.e. the N atom of the piperidine ring and the carbonyl O atom of the pyridone ring. Three forms of the cytisinium cation were identified, namely the monocation, which is always protonated at the N atom, the dication, which utilizes both protonation sites, and the third form, which contains two cytisine moieties connected by very short and linear O center dot center dot center dot H center dot center dot center dot O hydrogen bonds, with an O center dot center dot center dot O distance of approximately 2.4 angstrom. This third form may therefore be regarded as a 3+ species, or sesqui-cation, and is observed solely in the salts with bromide, iodide or triiodide (heavier halogen) anions. The cation is quite rigid and all 19 cytisinium fragments in the studied series have very similar conformations. The crystal structures are determined mainly by Coulombic interactions and hydrogen bonds, and the latter form is determined by different networks. Additionally, some anion-pi and lone-pair center dot center dot center dot pi secondary interactions are identified in almost all of the crystal structures. Hirshfeld surface analysis generally confirms the role of different interactions in the determination of the crystal architecture.
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Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem