Crystal Structure of an Antipsychotic Agent, 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (Blonanserin).

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Crystal structure of an antipsychotic agent, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (blonanserin).

both dopamine D2 and serotonin 5-HT2 receptor antagonist properties.1 In the chemical structure, this compound is different from all of the currently known antipsychotics, such as haloperidol, chlorpromazine and risperidone.2 To understand the structure-activity relationships of antipsycotics, an X-ray analysis of the title compound was undertaken. A colorless platelet crystal was obtained from...

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Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate

The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent mol-ecules, A and B, with different conformations: in mol-ecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamo-thio-ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in mol-ecule B are 50.56 (12) and 26.43 (11)°, respectively. Both m...

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Crystal structure of (E)-4-ethyl-2-(4-meth­oxy­benzyl­idene)-3,4-di­hydro­naphthalen-1(2H)-one

In the title compound, C20H20O2, the exocyclic C=C double bond has an E conformation. The ethyl substituent on the cyclo-hexa-none ring is in an axial orientation. The cyclo-hexa-none ring adopts a screw-boat conformation, with the methyl-ene C atom and the C atom bearing the 4-meth-oxy-benzyl-idene group displaced from the other atoms by 0.812 (1) and 0.334 (1) Å, respectively. The dihedral an...

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Crystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propyl­imidazolidine-5-carboxylate

The title compound, C20H27ClN2O3, was obtained via an original synthesis method. The central heterocyclic ring adopts a shallow envelope conformation, with the N atom bearing the cyclo-pentane ring as the flap [deviation from the other atoms = 0.442 (2) Å]. The cyclo-pentane ring adopts a twisted conformation about one of the CN-C bonds: the exocyclic C-N bond adopts an equatorial orientation. ...

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Crystal structure of ethyl (E)-4-(4-chlorophen­yl)-4-meth­oxy-2-oxobut-3-enoate

In the title compound, C13H13ClO4, the dihedral angle between the chloro-benezene ring and the least-squares plane through the 4-meth-oxy-2-oxobut-3-enoate ethyl ester residue (r.m.s. deviation = 0.0975 Å) is 54.10 (5)°. In the crystal, mol-ecules are connected by meth-oxy-ketone and benzene-carboxyl-ate carbonyl C-H⋯O inter-actions, generating a supra-molecular layer in the ac plane.

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ژورنال

عنوان ژورنال: Analytical Sciences

سال: 2002

ISSN: 0910-6340,1348-2246

DOI: 10.2116/analsci.18.1289