NDLI: Structure of 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate solvate (lamotrigine isethionate)

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Structure of 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate solvate (lamotrigine isethionate)

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Structure of 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate solvate (lamotrigine isethionate)

Content Provider	Springer Nature Link
Author	Potter, Brian Palmer, Rex A. Withnall, Robert Leach, Michael J. Chowdhry, Babur Z.
Copyright Year	1999
Abstract	The crystal and molecular structure of lamotrigine isethionate, C$_{9}$H$_{8}$Cl$_{2}$N$_{5}$ $^{+}$ .HOC$_{2}$H$_{4}$SO$_{3}$ $^{−}$ has been determined by direct methods. The compound crystallizes in the tetragonal space group I4$_{1}$/a. The isethionate moiety forms multiple hydrogen bonds to the lamotrigine nucleus, three from one isethionate, two from a symmetry related isethionate and a further two from two different symmetry related molecules. Protonation of N(2′) in the triazine ring, not observed in the native lamotrigine structure is presumably associated with the interaction of the isethionate moiety. Both rings in the lamotrigine moiety are essentially planar, with a dihedral angle of 66.08(7)° compared to 80.70° in native lamotrigine. The connecting bond length C(1)—C(6′) = 1.493(3) Å also correlates well with values in related compounds (1.480(3) Å) in the native structures.
Starting Page	701
Ending Page	706
Page Count	6
File Format	PDF
ISSN	10741542
Journal	Journal of Chemical Crystallography
Volume Number	29
Issue Number	6
e-ISSN	15728854
Language	English
Publisher	Kluwer Academic Publishers-Plenum Publishers
Publisher Date	1999-01-01
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Inorganic Chemistry Organometallic Chemistry Physical Chemistry Crystallography
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

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Low Temperature X-ray Crystallographic Structures of Two Lamotrigine Analogues: (I) 2-Methyl,3-amino, 5-imino-6-(2,3-dichlorophenyl)-1,2,4-triazine Water Solvate and (II) 2-Methyl,3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine Isethionate, Hemi-hydrate

X-ray Crystallographic Structures of Two Lamotrigine Analogues: (I) 3,5-Diamino-6-(2-chlorophenyl)-1,2,4-triazine Water Solvate and (II) 3,5-Diamino-6-(3,6-dichlorophenyl)-1,2,4-triazine Methanol Solvate

Crystal structure of an analog of the anticonvulsant lamotrigine, 3,5-diamino-6-(2,3,5-trichlorophenyl)-1,2,4-triazine·dimethanolate, and structure comparisons with related analogs

A new approach to the synthesis of lamotrigine and other 3,5-diamino-1,2,4-triazine derivatives

Cocrystals of 2,4-Diamino-6-phenyl-1,3,5-triazine with Dicarboxylic Acids

Synthesis and crystal structure of 3,5-di(2-propenyl)-6-phenyl-1,3,5-triazine-2,4-dione and 2-dimethylamino-4-ethoxycarbonylmethoxy-6-phenyl-1,3,5-triazine

Synthesis and structure analysis of diammonium 3,5-dinitro-1,2,4-cyclopentanetrione

Central Nervous System Drugs: Low Temperature X-ray Structures of (I) the Base 5-(2,3-Dichlorophenyl)-2,4-diamino-6-fluoromethyl-pyrimidine (4030W92) and (II) 5-(2,6-Dichlorophenyl)-1-H-2,4-diamino-6-methyl-pyrimidine methanesulphonic acid salt (227C89)

2,4-Diamino-6-methyl-1,3,5-triazine ethanol solvate

Structure of 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate solvate (lamotrigine isethionate)

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Low Temperature X-ray Crystallographic Structures of Two Lamotrigine Analogues: (I) 2-Methyl,3-amino, 5-imino-6-(2,3-dichlorophenyl)-1,2,4-triazine Water Solvate and (II) 2-Methyl,3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine Isethionate, Hemi-hydrate

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Structure of 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate solvate (lamotrigine isethionate)