<i>STEP</i>– a trial-and-error procedure for crystal structure determination. I. A description of the program system<i>SYSTEM</i>90

Hou, Yuguang; Gao, Ming-Liang; Li, L.; Hou, Peixin

doi:10.1107/s0108767394004460

Cited by 4 publications

(2 citation statements)

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“…Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: TEXSAN (Molecular Structure Corporation, 2001); program(s) used to solve structure: SYSTEM90 (Hou et al, 1994); program(s) used to refine structure: TEXSAN; molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: TEXSAN.…”

Section: Figurementioning

confidence: 99%

N,N′-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide)m-cresol disolvate

Hino¹,

Mizuguchi²

2005

Acta Cryst E

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Section: Figurementioning

confidence: 99%

N,N′-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide)m-cresol disolvate

Hino¹,

Mizuguchi²

2005

Acta Cryst E

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“…X-ray crystallographic measurements were made on a Rigaku RAXIS-RAPID imaging plate or Rigaku Saturn CCD area detector with graphite monochromated Mo K¡ radiation. The structures were determined by a direct method using SHELXS-86, 44 SYSTEM90, 45 and SIR-2002. 46 Least-squares refinements were performed on F 2 with SHELXL-97.…”

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confidence: 99%

Development of Organic Conductors with Self-Assembled Architectures of Biomolecules: Synthesis and Crystal Structures of Nucleobase-Functionalized Tetrathiafulvalene Derivatives

Murata

Miyazaki

Maki

et al. 2012

Bulletin of the Chemical Society of Japan

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Supramolecular assemblies and charge-transfer complexes of new nucleobase-functionalized tetrathiafulvalene (TTF) derivatives were investigated. Stille-type cross-coupling reaction between tributylstannylated TTF and iodinated nucleobase derivatives yielded mono-and bisnucleobase-substituted TTF derivatives. The electrochemical measurements revealed that the uracil-and cytosine-substituted derivatives possessed strong electron-donating abilities comparable to that of pristine TTF, and the electron-deficient features of adenine and guanine caused high potential shifts of the oxidation waves. In the solution-state electronic spectra, the intramolecular charge-transfer absorption bands were observed at a low-energy region. In the crystal structures, the donor molecules constructed supramolecular polymers by the complementary hydrogen-bonds inherent in nucleobases; a one-dimensional zigzag chain in the adenine-substituted derivative and a linear chain in the bis(uracil)-substituted derivative. The tetracyanoquinodimethane complexes of uraciland cytosine-substituted derivatives possessed a mixed valence state exhibiting high conductivities (room-temperature conductivities = 10). In the cyananilic acid complexes, cytosine-and adenine-substituted TTF acted as electron-donors and proton-acceptors to yield simultaneous charge-and proton-transfer complexes.In the research of conducting charge-transfer (CT) complexes and salts based on tetrathiafulvalene (TTF) and tetracyanoquinodimethane (TCNQ), 1 hydrogen-bond (H-bond) interaction has been utilized as a powerful tool in controlling the molecular arrangement for the construction of effective conduction paths.2,3 From this viewpoint, the self-assembling ability of biological molecules such as amino acids and peptides has been introduced into TTF systems. 4 Complementary Hbonds of nucleobases (Chart 1) are the most important driving force in the formation of DNA duplexes 5 and have been utilized in supramolecular chemistry and crystal engineering. 6,7 The robust and directional H-bonds of nucleobases were also utilized in CT complexes and salts to control the molecular arrangements. The nucleobase-annelated TTF derivatives, of which betainic neutral radicals obtained by the deprotonation of nucleobase moiety and following oxidation of the TTF moiety exhibited high conductivities (room-temperature conductivity (· RT ) = 10 ¹5 10 ¹1 S cm ¹1), formed self-assembled pairs by complementary H-bonds. 8 In protonated cytosinium salts with TCNQ derivatives, the self-assembling ability of hemiprotonated cytosinium by the robust H-bonds constructed segregated TCNQ layers exhibiting high conductivities (· RT = 10 ¹4 10 S cm ¹1 ). 9 Conductive self-supporting films have been also reported in the deoxyguanosine-substituted TTF derivatives under carrier doping with TCNQ (· RT = 10 ¹2 10 ¹3 S cm ¹1 ). 10In addition to these supramolecular aspects of H-bonds, our recent investigations of H-bond-functionalized TTF derivatives revealed the electronic effects of H-bond interactions disclo...

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Na_8.5H_1.5[GeW₉O₃₄]·20H₂O containing trivacant A-α- and A-β-Keggin anions

2003

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STEP– a trial-and-error procedure for crystal structure determination. I. A description of the program systemSYSTEM90

Cited by 4 publications

References 5 publications

N,N′-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide)m-cresol disolvate

N,N′-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide)m-cresol disolvate

Development of Organic Conductors with Self-Assembled Architectures of Biomolecules: Synthesis and Crystal Structures of Nucleobase-Functionalized Tetrathiafulvalene Derivatives

Na_8.5H_1.5[GeW₉O₃₄]·20H₂O containing trivacant A-α- and A-β-Keggin anions

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STEP– a trial-and-error procedure for crystal structure determination. I. A description of the program systemSYSTEM90

Cited by 4 publications

References 5 publications

N,N′-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide)m-cresol disolvate

N,N′-Bis[2-(4-pyridyl)ethyl]perylene-3,4:9,10-bis(dicarboximide)m-cresol disolvate

Development of Organic Conductors with Self-Assembled Architectures of Biomolecules: Synthesis and Crystal Structures of Nucleobase-Functionalized Tetrathiafulvalene Derivatives

Na8.5H1.5[GeW9O34]·20H2O containing trivacant A-α- and A-β-Keggin anions

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Na_8.5H_1.5[GeW₉O₃₄]·20H₂O containing trivacant A-α- and A-β-Keggin anions