Molecularly nonstoichiometric crystals in phosphorus compounds

Inorganic Chemistry

Volumn 46, Issue 23, 2007, Pages 9819-9826

  Chakravarty, Manab ^a   Suresh, R Rama ^a   Swamy, K C Kumara ^a  

^a UNIVERSITY OF HYDERABAD   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36349005210     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic701173x     Document Type: Article

References (62)

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12. One of the reviewers did not like the use of the term "nonstoichiometric crystals" on the grounds that this term applies to solid-state (ionic) compounds but not molecular compounds. The term "mixed crystals" was suggested. Another reviewer preferred a more explicit term. While we do agree that these are "mixed crystals", in our opinion, the true nature of the system presented here is not conveyed by this term. Also, to distinguish these from the ionic compounds, we have used the term "molecularly nonstoichiometric".
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50. This compound does catalyze the formation of the Baylis-Hillman adduct (∼60% yield) from 4-nitrobenzaldehyde and cyclohexenone in the presence of titanium tetrachloride. Phani Pavan, M. (University of Hyderabad), Unpublished data.
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53. Volume/molecule was calculated by dividing the unit cell volume by the number of molecules. It may be noted that the cell volume for [11+13] is slightly more than that for 13 alone. Hence, caution is required while correlating the volume with the number of atoms present in the molecule when small relative differences are involved.
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57. In 15, there is Se⋯H24C short contact [C24- H24C⋯Se′ 0.96, 2.93, and 3.783(3) Å, 148.3°; symmetry code, -0.5 + x, 1.5 - y, 2 - z], but a similar contact is missing in 14. Although 13 has a disordered structure, the P=O bond has short contacts (O2⋯C14 3.027 Å), which obviously are absent in. 11. However, in both sets [11+13] and [14+15], the packing and crystal dimensions are essentially unaffected by these weak interactions. Between 12 and 16, the latter has some short contacts involving the phosphoryl oxygen [C21-H21-O7 0.93, 2.68, and 3.338(4) Å, 128.0°; symmetry code, -1 + x, y, z; C13-H13-O8′ 0.93, 2.69, and 3.452(4) Å, 139.6°; symmetry code, 1 - x, 2 - y, -1/2 + z; C36-H36-O4′ 0.93, 2.62, and 3.511(4) Å, 159.5°; symmetry code, 1/2 + x, 1 - y, z], but it is likely that the significant difference in the volume/molecule resulted in different structural motifs here. Thus, the interactions involving the P=X bond are not used as a guiding motif in the present series. Relevant packing diagrams are available in the Supporting Information.
58. 3P=O crystallize with different unit cell dimensions. In this case, also our attempts to get mixed crystals were not successful. For selected data on their crystal structures, see: Brock, C. P.; Schweizer, W. B.; Dunitz, J. D. J. Am. Chem. Soc. 1985, 107, 6964 and references cited therein.
59. It should be noted that the peaks due to 17 are two doublets over which integration is taken.
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