Two pseudopolymorphic hydrates of brucine: brucine–water (1/4) and brucine–water (1/5.25) at 130 K

Smith, Graham; Wermuth, Urs D.; Healy, Peter Conrad; White, Jonathan M.

doi:10.1107/s0108270106005944

Cited by 17 publications

(31 citation statements)

References 4 publications

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“…5). 34 Actually, the same molecular conformation has been observed in all known crystals of brucine, 30 brucine solvates, 30,31,34 brucine complexes, 32,33,[35][36][37] and brucinium salts. [19][20][21][22][23][24][25][26][27][28][29][38][39][40][41][42][43][44][45] Such a conformer of brucine was observed in all the resultant crystals with aliphatic alcohols with no exception.…”

Section: Resultsmentioning

confidence: 70%

Guest-Induced Supramolecular Isomerism and Chirality of Brucine Inclusion Crystals with Aliphatic Alcohols: A Hierarchical Interpretation

Watabe¹,

Kobayashi²,

Hisaki³

et al. 2007

Bulletin of the Chemical Society of Japan

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Cocrystallization of brucine with a series of aliphatic alcohols was systematically investigated to understand molecular recognition through supramolecular isomerism and chirality. Guest-induced supramolecular isomers of brucine were obtained by cocrystallization and were categorized into three structural types based on the common 2 1 helical tapelike assemblies. These supramolecular isomers were elucidated from the molecular structures on the basis of qualitative hierarchical structural analysis through supramolecular chirality. Moreover, it was found that the supramolecular isomerization occurred depending on the size of the guest molecules. This dependence was clearly evaluated on the relationship between the volume of the guest molecules and the packing coefficient of the void spaces in the host cavities.Crystalline host compounds have attracted much attention in the field of crystal engineering and supramolecular chemistry due to practical and fundamental applications in catalysis, magnetism, electro and non-linear optics, chemical separation, gas-storage, and drug delivery.

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Section: Resultsmentioning

confidence: 70%

Guest-Induced Supramolecular Isomerism and Chirality of Brucine Inclusion Crystals with Aliphatic Alcohols: A Hierarchical Interpretation

Watabe¹,

Kobayashi²,

Hisaki³

et al. 2007

Bulletin of the Chemical Society of Japan

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“…There have been several attempts to prepare proton transfer compounds involving carboxylic acids and amines. For example ion pairs have been reported between H 2 pzdc and various organic bases such as 8-hydroxy quinoline (Smith et al, 2006a) and guanidine (Smith et al, 2006b). In this work, we report a new proton transfer compound obtained from H 2 pzdc as a proton donor and tata as an acceptor.…”

Section: Commentmentioning

confidence: 93%

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) pyrazine-2,3-dicarboxylate tetrahydrate: a synchrotron radiation study

et al. 2010

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The title compound, 2C3H7N6 +·C6H2N2O4 2−·4H2O or (tataH)2(pzdc)·4H2O, was synthesised by a reaction between pyrazine-2,3-dicarboxylic acid (H2pzdc) as a proton donor and 2,4,6-triamino-1,3,5-triazin (tata) as a proton acceptor. In the crystal structure, an extensive series of O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds generates a three-dimensional framework with the hydrogen bonding involving most donor and acceptor centers. π–π stacking interactions are also observed between adjacent triazine rings, with centroid–centroid distances of 3.4994 (8) and 3.5922 (7) Å.

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“…ȼ ɥɟɧɬɚɯ T4(1) (MIFVUS [ 108 ], VUCGEF) ɢ T4(0)A0 (LEJPOF, KACNIL) ɤɚɠɞɵɣ ɞɜɭɯɤɨɨɪɞɢɧɢɪɨɜɚɧɧɵɣ ɚɬɨɦ O ɢɦɟɟɬ sɫɜɨɛɨɞɧɵɣs ɩɪɨɬɨɧ, ɫɩɨɫɨɛɧɵɣ ɨɛɪɚɡɨɜɚɬɶ H-ɫɜɹɡɶ ɫ ɨɪɝɚɧɢɱɟɫɤɨɣ ɦɨɥɟɤɭɥɨɣ (MIFVUS, KACNIL). Ⱦɜɭɯɤɨɨɪɞɢɧɢɪɨɜɚɧɧɵɟ ɚɬɨɦɵ O ɫɨɞɟɪɠɚɬɫɹ ɬɚɤɠɟ ɜ ɥɟɧɬɚɯ T5(2) (GIXDIA [ 106 ], KEBJAD [ 109 ]), T5(0)A1 (UCUYAT [ 110 ]), T6(1) (ENSUCP), T6(2) (EBAQII [ 111 ], ZZZPRW01 [ 112 ]). ȼ ɥɟɧɬɟ T4(2) sɫɜɨɛɨɞɧɵɣs ɩɪɨɬɨɧ ɢɦɟɟɬɫɹ ɥɢɲɶ ɭ ɩɨɥɨɜɢɧɵ ɬɪɟɯɤɨɨɪɞɢɧɢɪɨɜɚɧɧɵɯ ɚɬɨɦɨɜ O; ɨɧɢ ɬɨɠɟ, ɤɚɤ ɩɪɚɜɢɥɨ, ɨɛɪɚɡɭɸɬ H-ɫɜɹɡɢ ɫ ɨɪɝɚɧɢɱɟɫɤɨɣ ɦɨɥɟɤɭɥɨɣ (BIHWAR [ 113 ]).…”

Section: D ⱥɋɋɉɐɂⱥɍɕmentioning

confidence: 99%

Crystal Hydrates of Organic Compounds

2016

JSC

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Ɋɚɫɫɦɨɬɪɟɧɵ ɫɬɪɭɤɬɭɪɵ ɪɚɡɥɢɱɧɵɯ ɤɥɚɫɫɨɜ ɨɪɝɚɧɢɱɟɫɤɢɯ ɤɪɢɫɬɚɥɥɨɝɢɞɪɚɬɨɜ, ɩɪɢɜɟɞɟɧɚ ɢɯ ɫɬɪɭɤɬɭɪɧɚɹ ɤɥɚɫɫɢɮɢɤɚɰɢɹ ɧɚ ɨɫɧɨɜɟ ɪɚɡɦɟɪɧɨɫɬɢ ɢ ɩɥɚɧɚɪɧɨɫɬɢ ɜɯɨɞɹɳɟɝɨ ɜ ɧɢɯ ɦɨɬɢɜɚ (ɇ 2 Ɉ) n (ɜɨɞɧɨɝɨ ɚɫɫɨɰɢɚɬɚ). ɉɪɨɜɟɞɟɧɨ ɨɛɨɛɳɟɧɢɟ ɫɬɪɭɤɬɭɪɧɵɯ ɞɚɧɧɵɯ ɩɨ ɜɟɥɢɱɢɧɟ ɩɪɨɬɨɧɨɢɡɛɵɬɨɱɧɨɫɬɢ ɜɨɞɧɨɝɨ ɚɫɫɨɰɢɚɬɚ.

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Two pseudopolymorphic hydrates of brucine: brucine–water (1/4) and brucine–water (1/5.25) at 130 K

Cited by 17 publications

References 4 publications

Guest-Induced Supramolecular Isomerism and Chirality of Brucine Inclusion Crystals with Aliphatic Alcohols: A Hierarchical Interpretation

Guest-Induced Supramolecular Isomerism and Chirality of Brucine Inclusion Crystals with Aliphatic Alcohols: A Hierarchical Interpretation

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) pyrazine-2,3-dicarboxylate tetrahydrate: a synchrotron radiation study

Crystal Hydrates of Organic Compounds

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