The molecular and crystal structure of (+)-mianserin hydrobromide

C. van Ru; D. Feil

doi:10.1016/S0040-4020(01)83216-6

The molecular and crystal structure of (+)-mianserin hydrobromide

C. van Ru, D. Feil

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Abstract

X-ray analysis of crystals of (+)-mianserin hydrobromide (1,2,3,4,10,14b-hexahydro-2-methyl-dibenzol[c,f]pyrazino[1,2-a]azepine) has established the stereochemistry and absolute configuration of this compound (S at 14b). The crystals are orthorhombic with unit-cell dimensions: a = 1299(1)pm, b = 1420(1)pm, c = 1002(1)pm; Z = 4. The space group is P212121. Intensity data for about 1000 reflections were measured on a single-crystal diflractometer with Cu-Kα radiation. The crystal structure was solved by the heavy-atom method and refined by least-squares procedures. Final R-factor 9·4%. The absolute configuration was determined by Bijvoet's technique.

Original language	Undefined
Pages (from-to)	1891-1893
Journal	Tetrahedron
Volume	29
Issue number	13
DOIs	https://doi.org/10.1016/S0040-4020(01)83216-6
Publication status	Published - 1973

Keywords

IR-68085

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10.1016/S0040-4020(01)83216-6

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van Ru, C., & Feil, D. (1973). The molecular and crystal structure of (+)-mianserin hydrobromide. Tetrahedron, 29(13), 1891-1893. https://doi.org/10.1016/S0040-4020(01)83216-6

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title = "The molecular and crystal structure of (+)-mianserin hydrobromide",

abstract = "X-ray analysis of crystals of (+)-mianserin hydrobromide (1,2,3,4,10,14b-hexahydro-2-methyl-dibenzol[c,f]pyrazino[1,2-a]azepine) has established the stereochemistry and absolute configuration of this compound (S at 14b). The crystals are orthorhombic with unit-cell dimensions: a = 1299(1)pm, b = 1420(1)pm, c = 1002(1)pm; Z = 4. The space group is P212121. Intensity data for about 1000 reflections were measured on a single-crystal diflractometer with Cu-Kα radiation. The crystal structure was solved by the heavy-atom method and refined by least-squares procedures. Final R-factor 9·4{\%}. The absolute configuration was determined by Bijvoet's technique.",

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author = "{van Ru}, C. and D. Feil",

year = "1973",

doi = "10.1016/S0040-4020(01)83216-6",

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T1 - The molecular and crystal structure of (+)-mianserin hydrobromide

AU - van Ru, C.

AU - Feil, D.

PY - 1973

Y1 - 1973

N2 - X-ray analysis of crystals of (+)-mianserin hydrobromide (1,2,3,4,10,14b-hexahydro-2-methyl-dibenzol[c,f]pyrazino[1,2-a]azepine) has established the stereochemistry and absolute configuration of this compound (S at 14b). The crystals are orthorhombic with unit-cell dimensions: a = 1299(1)pm, b = 1420(1)pm, c = 1002(1)pm; Z = 4. The space group is P212121. Intensity data for about 1000 reflections were measured on a single-crystal diflractometer with Cu-Kα radiation. The crystal structure was solved by the heavy-atom method and refined by least-squares procedures. Final R-factor 9·4%. The absolute configuration was determined by Bijvoet's technique.

AB - X-ray analysis of crystals of (+)-mianserin hydrobromide (1,2,3,4,10,14b-hexahydro-2-methyl-dibenzol[c,f]pyrazino[1,2-a]azepine) has established the stereochemistry and absolute configuration of this compound (S at 14b). The crystals are orthorhombic with unit-cell dimensions: a = 1299(1)pm, b = 1420(1)pm, c = 1002(1)pm; Z = 4. The space group is P212121. Intensity data for about 1000 reflections were measured on a single-crystal diflractometer with Cu-Kα radiation. The crystal structure was solved by the heavy-atom method and refined by least-squares procedures. Final R-factor 9·4%. The absolute configuration was determined by Bijvoet's technique.

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U2 - 10.1016/S0040-4020(01)83216-6

DO - 10.1016/S0040-4020(01)83216-6

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JF - Tetrahedron

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