X-ray structural analyses and DFT study of 7-thianorbornenes: 4-aza-4-phenyl-10-thiatricyclo[5.2.1.0.2,6]deca-8-ene-3,5-dione and 4-aza-l,4,7-trimethyl-10-thiatricyclo[5.2.1.0.2,6]deca-8-ene-3,5-dione

Margetić, Davor; Murata, Yasujiro; Komatsu, Kôichi

doi:10.1007/s11224-006-9119-9

Cited by 4 publications

(3 citation statements)

References 26 publications

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“…The conformation of the 6-membered ring is fully consistent with the given X-ray diffraction data for the endo-adducts of 2 with N-phenylmaleimide and 2,5dimethylthiophene with N-methylmaleimide. 33 In contrast to these endo-adducts, the length of bonds with the sulfur atom in adduct 3 is much shorter: S 1 -C 2 1.814(4) Å, S 1 -C 5 1.825(4) Å. The angle at the sulfur atom in adduct 3 is 79.4(2) o , which coincides with the data for thianorbornenes.…”

Section: Resultssupporting

confidence: 79%

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Synthesis and x-ray diffraction study of the adduct of the Diels-Alder reaction between thiophene and maleic anhydride

Kornilov,

Zimin,

Alekhina

et al. 2024

Third International Scientific and Practical Symposium on Materials Science and Technology (MST-III 2023)

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The synthesis of the adduct of the Diels-Alder reaction between thiophene and maleic anhydride has been carried out in a barostat for 32 hours at a pressure of 8000 atmospheres and a temperature of 105 °C. The adduct yield was 25%. In repeated synthesis for 50 hours under the same conditions, the yield was 35%. The adduct has been obtained by recrystallization from diethyl ether. The crystals of this adduct have been grown for the first time. X-ray analysis revealed the formation of the exo-adduct.

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Section: Resultssupporting

confidence: 79%

“…The angle at the sulfur atom in adduct 3 is 79.4(2) o , which coincides with the data for thianorbornenes. 33 Elongation of the С 5 -С 5a (1.542(5) Å) and C 2 -C 2a (1.551(5) Å) bonds in adduct 3 was also detected. The remaining bond lengths and angles in adduct 3 and thianorbornenes are close.…”

Section: Resultsmentioning

confidence: 93%

Synthesis and x-ray diffraction study of the adduct of the Diels-Alder reaction between thiophene and maleic anhydride

Kornilov,

Zimin,

Alekhina

et al. 2024

Third International Scientific and Practical Symposium on Materials Science and Technology (MST-III 2023)

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“…In the following article, by Margetić et al [129], X-ray structures of Diels-Alder adducts of thiophene with Nmethylmaleimide and 2,5-dimethylthiophene with Nphenylmaleimide were determined and compared with literature data. In addition, quantum chemical calculations at various levels of theory were used to study their molecular and electronic structure and to determine the most accurate calculation methods for a theoretical study of 7-thianorbornenes.…”

Section: Issuementioning

confidence: 99%

Interplay of thermochemistry and Structural Chemistry, the journal (volume 18, 2007) and the discipline

Ponikvar

Liebman

2008

Struct Chem

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In this study, we relate the contents of the journal Structural Chemistry for the calendar year 2007 and thermochemistry. The year's articles were briefly summarized and a thermochemical comment written to supplement them. Frequently questions were asked and future research was suggested.Keywords Structural Chemistry Á Thermochemistry Á Thermodynamics Á Enthalpy of formation Á Enthalpy of phase change Á Enthalpy of reaction As practiced disciplines, structural chemistry and thermochemistry are very often unrelated. In this study, these disciplines are linked as relations are explicitly made using the contents of the journal Structural Chemistry (Vol. 18) for the calendar year 2007 as a scaffold for our analysis, for our selected articles in the discipline of structural chemistry. These studies have been reviewed by us, where we give them a thermochemical flavor. While this commentary is most generally written in terms of brief summaries of literature papers involving enthalpies of formation and/or reaction, not uncommonly we raise questions and even suggest possible future research. We are not, however, going to give a thermochemical slant on book reviews, honorary dedications, and obituaries although these works will be cited in our text.As such, this article is a sequel to our earlier related reviews of Structural Chemistry for the calendar years 2000 through 2004 [1-5]. Reviews for 2005 and 2006 are currently being prepared. Issue 1In the first article in the first issue of Structural Chemistry for 2007, Hargittai [6] asserted that while research is currently usually carried out in big groups, the most important ideas, observations and discoveries still belong to individuals who have to bring down dogmas or open entirely new areas in science. This may bring solace to the thermochemical community in which research groups are generally small, and the number of new practitioners sadly few.In the past decade, the crystal engineering of multidimensional arrays and networks containing metal ions has achieved considerable progress because of the increased interest in the potential utility of these compounds as zeolite-like materials [7-11], catalysts [12], or magnetic materials [13][14][15]. The thermochemistry of these species is complicated by their inherent complexity: however, estimation approaches of their key thermochemical quantities are increasingly reliable [16]. In the second article of this issue, by Wang et al. [17], the versatility of malonate dianion as a ligand for the construction of extended networks with different topologies dependent on the coordination geometry of the metal ion was discussed. The synthesis and structure of a novel malonate-bridged copper(II) compound in which copper(II) ions have two different coordination environments in a novel three-dimensional (3D) network was described. Metal malonates have been studied from a

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Zinc(II) and Mercury(II) Complexes of Pyrazole‐Based NNN‐Type Ligands: Syntheses, X‐ray Structures, Thermal Analyses and DFT Studies

Hopa

Kurtaran

Azizoğlu

et al. 2011

Zeitschrift anorg allge chemie

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Monomeric zinc(II) and mercury(II) complexes containing tripodal nitrogen donor ligand 2,6-bis(3,4,5-trimethyl-N-pyrazolyl)pyridine (btmpp) were synthesized, and characterized by elemental and spectroscopic (IR, UV/Vis) analyses, TG-DTA and single-crystal Xray diffraction studies. X-ray analyses of the complexes [Zn(btmpp)Cl 2 ] (2) and [Hg(btmpp)(SCN) 2 ] (3) showed that both structures crystallize in space group P2 1 /c with a = 7.9722(6), b = 18.3084(13), c = 13.3117(9) Å and Z = 4 for 2 and a = 8.7830(3), b = * Dr. Ç. Hopa

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X-ray structural analyses and DFT study of 7-thianorbornenes: 4-aza-4-phenyl-10-thiatricyclo[5.2.1.0.2,6]deca-8-ene-3,5-dione and 4-aza-l,4,7-trimethyl-10-thiatricyclo[5.2.1.0.2,6]deca-8-ene-3,5-dione

Cited by 4 publications

References 26 publications

Synthesis and x-ray diffraction study of the adduct of the Diels-Alder reaction between thiophene and maleic anhydride

Synthesis and x-ray diffraction study of the adduct of the Diels-Alder reaction between thiophene and maleic anhydride

Interplay of thermochemistry and Structural Chemistry, the journal (volume 18, 2007) and the discipline

Zinc(II) and Mercury(II) Complexes of Pyrazole‐Based NNN‐Type Ligands: Syntheses, X‐ray Structures, Thermal Analyses and DFT Studies

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