Structures of the neuropleptic drugs α- and β-clopenthixol

P. G. Jones; G. M. Sheldrick; A. S. Horn

doi:10.1107/S056774088100455X

Structures of the neuropleptic drugs α- and β-clopenthixol

P. G. Jones, G. M. Sheldrick, A. S. Horn

Groningen Research Institute of Pharmacy

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

The tricyclic neuroleptic drug tt-clopenthixol (C22H25C1N2OS) is monoclinic, P21/n, with a = 11.549 (4), b = 15.739 (6), c = 11.627 (5)A, fl = 109.47 (2) °, U = 1992.6 A 3, Z = 4. Its less potent fl isomer is triclinic, Pi, with a = 6.493 (2), b = 7.758(3), c = 21.881 (8)A, ,i = 90.11 (2), /~ = 91.48 (2), y = 92.81 (2) ° , U= 1100.5 A 3, Z = 2, and crystallizes as a dihydrate. The structures have been refined to R = 0.051 for 2503 reflexions (a) and 0.039 for 3170 reflexions (fl). Various structural features of these drugs and those of the closely related t~- and fl-flupenthixol are compared.

Original language	English
Pages (from-to)	906-910
Number of pages	5
Journal	Acta Crystallographica Section B: Structural Science
Volume	37
DOIs	https://doi.org/10.1107/S056774088100455X
Publication status	Published - Apr-1981

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Structures of the Neuroleptie Drugs ~t- and fl-Clopenthixol
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title = "Structures of the neuropleptic drugs α- and β-clopenthixol",

abstract = "The tricyclic neuroleptic drug tt-clopenthixol (C22H25C1N2OS) is monoclinic, P21/n, with a = 11.549 (4), b = 15.739 (6), c = 11.627 (5)A, fl = 109.47 (2) °, U = 1992.6 A 3, Z = 4. Its less potent fl isomer is triclinic, Pi, with a = 6.493 (2), b = 7.758(3), c = 21.881 (8)A, ,i = 90.11 (2), /~ = 91.48 (2), y = 92.81 (2) ° , U= 1100.5 A 3, Z = 2, and crystallizes as a dihydrate. The structures have been refined to R = 0.051 for 2503 reflexions (a) and 0.039 for 3170 reflexions (fl). Various structural features of these drugs and those of the closely related t~- and fl-flupenthixol are compared. ",

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T1 - Structures of the neuropleptic drugs α- and β-clopenthixol

AU - Jones, P. G.

AU - Sheldrick, G. M.

AU - Horn, A. S.

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Y1 - 1981/4

N2 - The tricyclic neuroleptic drug tt-clopenthixol (C22H25C1N2OS) is monoclinic, P21/n, with a = 11.549 (4), b = 15.739 (6), c = 11.627 (5)A, fl = 109.47 (2) °, U = 1992.6 A 3, Z = 4. Its less potent fl isomer is triclinic, Pi, with a = 6.493 (2), b = 7.758(3), c = 21.881 (8)A, ,i = 90.11 (2), /~ = 91.48 (2), y = 92.81 (2) ° , U= 1100.5 A 3, Z = 2, and crystallizes as a dihydrate. The structures have been refined to R = 0.051 for 2503 reflexions (a) and 0.039 for 3170 reflexions (fl). Various structural features of these drugs and those of the closely related t~- and fl-flupenthixol are compared.

AB - The tricyclic neuroleptic drug tt-clopenthixol (C22H25C1N2OS) is monoclinic, P21/n, with a = 11.549 (4), b = 15.739 (6), c = 11.627 (5)A, fl = 109.47 (2) °, U = 1992.6 A 3, Z = 4. Its less potent fl isomer is triclinic, Pi, with a = 6.493 (2), b = 7.758(3), c = 21.881 (8)A, ,i = 90.11 (2), /~ = 91.48 (2), y = 92.81 (2) ° , U= 1100.5 A 3, Z = 2, and crystallizes as a dihydrate. The structures have been refined to R = 0.051 for 2503 reflexions (a) and 0.039 for 3170 reflexions (fl). Various structural features of these drugs and those of the closely related t~- and fl-flupenthixol are compared.

U2 - 10.1107/S056774088100455X

DO - 10.1107/S056774088100455X

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JO - Acta Crystallographica Section B: Structural Science

JF - Acta Crystallographica Section B: Structural Science

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