The crystal structure of sulphathiazole II

Kruger, Gert J.; Gafner, G.

doi:10.1107/s0567740871002176

Cited by 76 publications

(52 citation statements)

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“…The angle at the sulphur atom, 90.2 °, is common for substituted thiazole molecules. 1-763 1.297 2-Methylaminobenzothiazole (Fehlmann, 1970) 1.763 1.297 Phenylthiazolidinedione (Matthews, 1964) 1.776 1.338 2-(O-Hydroxy-phenyl) benzothiazole (Stenson, 1970) 1-749 1.280 N-Benzyl-4-methylthiazolium bromide (Power et al, 1970) 1"671 1.308 Sulphathiazole II (Kruger & Gafner, 1971) 1.742 1.332 2-Amino-4-thiazolidinone-5-acetic acid (Amirthalingham & Muralidharan, 1972a) 1.726 1.361 1.336 1"338 2-Imino-4-thiazolidinone (Amirthalingham & Muralidharan, 1972b) The exocyclic, C(2)-N(2), and heterocyclic, C(2)-N(3), bonds possess 60 and 40% double-bond character respectively, on Wheatley's (1955) scale. This is indicative of amino-imino tautomerism in the neutral molecule.…”

Section: D's In Parentheses C(2)--s(1) --C(5) 90"2 (7) ° H(1)--o(1)-mentioning

confidence: 99%

The crystal and molecular structure of 2-amino-4-phenylthiazole hydrobromide monohydrate

Form¹,

Raper²,

Downie³

1974

Acta Crystallogr Sect B

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Section: D's In Parentheses C(2)--s(1) --C(5) 90"2 (7) ° H(1)--o(1)-mentioning

confidence: 99%

The crystal and molecular structure of 2-amino-4-phenylthiazole hydrobromide monohydrate

Form¹,

Raper²,

Downie³

1974

Acta Crystallogr Sect B

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“…1), a sulfonamide antibacterial drug, which has become a useful and well studied model in the investigation of organic polymorphism and crystal growth (Anwar et al, 1989;Khoshkhoo & Anwar, 1993;Blagden et al, 1998). Sulfathiazole is known to possess at least ®ve crystalline or polymorphic forms: I, II and III (Kruger & Gafner, 1971, 1972, IV (Babilev et al, 1987) and V (Lagas & Lerk, 1981;Anwar et al, 1989). In the paper by Anwar et al (1989), form V is referred to as form II.…”

Section: Introductionmentioning

confidence: 99%

Ab initiostructure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

et al. 1999

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The crystal structure of sulfathiazole [4-amino-N-(2,3-dihydro-2-thiazolylidene)benzenesulfonamide, C 9 H 9 -N 3 O 2 S] polymorphic form V has been determined from high-resolution synchrotron X-ray powder diffraction data. The structure is monoclinic, space group P2 1 /n, Z = 8, with two molecules in the asymmetric unit. The unit-cell dimensions are a = 14.3296 (3), b = 15.2733 (2), c = 10.4428 (2) A Ê and = 91.052 (1) with cell volume V = 2285.13 (8) A Ê 3 . The structure has been solved by direct methods without recourse to any computational modelling techniques for generating possible structures. The unre®ned structure obtained from direct methods gave an R wp value of 36.5%. Re®nement of atomic and displacement parameters yielded a ®nal R wp of 12.54% (R p = 9.37%). The conformations of the two molecules in the asymmetric unit are nearly identical and very similar to that found in other forms of sulfathiazole. The molecular packing is characterized by molecular sheets lying perpendicular to the a axis. Each sheet is two molecules thick, being integrated by hydrogen bonding. With 16 non-H atoms in the molecule and two molecules in the asymmetric unit, this structure represents a further advance in terms of the complexity of an organic structure solved from X-ray powder diffraction data.

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“…1 "749 (6) 1 "431 (5) -120"4 103"4 1"449 (5) Reference present paper present paper Kruger & Gafner (1971) Kruger & Gafner (1971) Kruger & Gafner (1972) Klug (1968) O 'Connell & Maslen (1967) All6aume ( • (f) S-N~ . (g) Corrected for thermal motion.…”

mentioning

confidence: 97%

Comparison of the dimensions and conformation of the sulfaguanidine moiety in sulfaguanidine monohydrate and trans-dichlorobis(sulfaguanidine)palladium(II)

Alléaume¹,

Gulko²,

Herbstein³

et al. 1976

Acta Crystallogr Sect B

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The crystal structure of sulphathiazole II

Cited by 76 publications

References 1 publication

The crystal and molecular structure of 2-amino-4-phenylthiazole hydrobromide monohydrate

The crystal and molecular structure of 2-amino-4-phenylthiazole hydrobromide monohydrate

Ab initiostructure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

Comparison of the dimensions and conformation of the sulfaguanidine moiety in sulfaguanidine monohydrate and trans-dichlorobis(sulfaguanidine)palladium(II)

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