Source:http://linkedlifedata.com/resource/pubmed/id/15148437
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
Pt 3
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pubmed:dateCreated |
2004-5-18
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pubmed:abstractText |
Crystals of C(10)H(8)N(3)O(2)Br undergo two reversible phase transitions between 295 and 100 K. The first, of an order-disorder nature, is a second-order transition and takes place continuously over a wide temperature range. This transition is connected with the doubling of the length of the c axis of the unit cell and with the change of the space group from P2(1)/m with Z' = 1/2 (room-temperature alpha-phase) to P2(1)/c, Z' = 1 (beta-phase, 200-120 K). During this transition the molecule loses the C(s) symmetry of the alpha-phase. The second transition takes place between 118 and 115 K, and is accompanied by a change of the crystal symmetry to the triclinic space group P1; (low-temperature gamma-phase). This second phase transition is accompanied by the twinning of the crystal. Neither the molecular geometry nor the crystal packing shows any dramatic changes during these phase transitions. Halogen bonds C-Br.N and dihalogen interactions Br.Br play a crucial role in determining the crystal packing and compete successfully with other kinds of weak intermolecular interactions.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Jun
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pubmed:issn |
0108-7681
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:volume |
60
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
333-42
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pubmed:dateRevised |
2007-7-24
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pubmed:meshHeading |
pubmed-meshheading:15148437-Bromine,
pubmed-meshheading:15148437-Crystallography, X-Ray,
pubmed-meshheading:15148437-Hydrogen Bonding,
pubmed-meshheading:15148437-Models, Molecular,
pubmed-meshheading:15148437-Molecular Conformation,
pubmed-meshheading:15148437-Molecular Structure,
pubmed-meshheading:15148437-Nitrogen,
pubmed-meshheading:15148437-Nitroimidazoles,
pubmed-meshheading:15148437-Phase Transition,
pubmed-meshheading:15148437-Transition Temperature
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pubmed:year |
2004
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pubmed:articleTitle |
Structural phase transitions, and Br.N and Br.Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole.
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pubmed:affiliation |
Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Pozna?, Poland. mkubicki@amu.edu.pl
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pubmed:publicationType |
Journal Article
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