The effect of water vapor pressure on desolvation kinetics of caffeine 4/5-hydrate

Griesser, Ulrich J.; Burger, A.

doi:10.1016/0378-5173(94)00416-3

Cited by 89 publications

(68 citation statements)

References 18 publications

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“…The dehydration process has been investigated extensively and a mechanism has been postulated in which water leaves the crystal through the channel structure, whereas optical microscopy suggests that the mechanism involves simultaneous re-nucleation of caffeine into the anhydrous form. [5][6][7] Consequently, the single crystals are destroyed during this dehydration process. The structure of the resulting anhydrous form has already been speculated upon by Cesàro and Starec [8] and recently a detailed computational study provided further insight into the aggregation of caffeine in the solid state.…”

Section: Introductionmentioning

confidence: 99%

The Crystal Structure of Anhydrous β‐Caffeine as Determined from X‐ray Powder‐Diffraction Data

Lehmann

Stowasser

2007

Chemistry A European J

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The crystal structure of the low-temperature form of anhydrous caffeine has been determined by using X-ray powder-diffraction data with a combined simulated-annealing/Rietveld method. Anhydrous caffeine crystallizes with five crystallographically independent molecules in a monoclinic C-centred unit cell with dimensions of a=43.0390(17), b=15.0676(6) and c=6.95314(14) A and a beta angle of 99.027(2) degrees.

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Section: Introductionmentioning

confidence: 99%

The Crystal Structure of Anhydrous β‐Caffeine as Determined from X‐ray Powder‐Diffraction Data

Lehmann

Stowasser

2007

Chemistry A European J

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“…40 The hydrate is also stable at room temperature but only at elevated relative humidities. 41 Caffeine was also selected based on its rapid transformation kinetics between the stable anhydrate and hydrate. 41 …”

Section: Introductionmentioning

confidence: 99%

“…41 Caffeine was also selected based on its rapid transformation kinetics between the stable anhydrate and hydrate. 41 …”

Section: Introductionmentioning

confidence: 99%

Identification of Phase Boundaries in Anhydrate/Hydrate Systems

Krzyzaniak¹,

Williams²,

Ni³

2007

Journal of Pharmaceutical Sciences

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“…Caffeine 0.8 hydrate [35][36][37] and theophylline monohydrate [38,39] form channels in their structure as well. Both materials are isostructural and stoichiometric, while the water release behaviour from the channels differs significantly [40][41][42]. Another example of a channel hydrate is given in the co-crystal of pamoic acid and piperazine, which forms a trihydrate [32].…”

Section: Single Crystal X-ray Structures Of Hydratesmentioning

confidence: 99%

X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates

Fucke

Steed

2010

Water

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A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the molecular conformation, packing and hydrogen bonding in the crystal structure, while powder X-ray diffraction on bulk material can trace hydration/dehydration processes and phase transitions under non-ambient conditions. Neutron diffraction is a valuable complementary technique to X-ray diffraction and gives highly accurate hydrogen atom positions due to the interaction of the radiation with the atomic nuclei.Although not yet often applied to organic hydrates, neutron single crystal and neutron powder diffraction give precise structural data on hydrogen bonding networks which will help explain why hydrates form in the first place.

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The effect of water vapor pressure on desolvation kinetics of caffeine 4/5-hydrate

Cited by 89 publications

References 18 publications

The Crystal Structure of Anhydrous β‐Caffeine as Determined from X‐ray Powder‐Diffraction Data

The Crystal Structure of Anhydrous β‐Caffeine as Determined from X‐ray Powder‐Diffraction Data

Identification of Phase Boundaries in Anhydrate/Hydrate Systems

X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates

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