Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol

The title compound, C13H14N4O, was developed using the reaction of salicyl aldehyde and 3-amino-5-cyclo butyl-1,2,4-triazole in ethanol under microwave irradiation. This eco-friendly microwave-promoted method proved to be efficient in the synthesis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol in good yields and purity. The title compound is a Schiff base that exists in the phenol-imine tautomeric form and adopts an E configuration. The three independent mol ecules in the asymmetric unit (A, B and C) are not planar, the cyclo butyl and the phenol-imine rings are twisted to each other making a dihedral angle of 67.8 (4)° in mol ecule A, 69.1 (2)° in mol ecule B and 89.1 (2)° in mol ecule C. In each mol ecule an intra molecular O - H⋯N hydrogen bond is present, forming an S(6) ring motif. A Hirshfeld surface analysis was performed to investigate the contributions of the different inter molecular contacts within the supra molecular structure. The major inter actions are H⋯H (53%), C⋯H (19%) and N⋯H (17%) for mol ecule A, H⋯H (50%), N⋯H (20%) and C⋯H (20%) for mol ecule B and H⋯H (57%), C⋯H (14%) and N⋯H (13%) for mol ecule C

Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one

A new synthesis of the title compound, C19H21NO2, was developed with good yield and purity using the reaction of 4-hy­droxy-3-methyl-2-butanone, benzaldehyde and ammonium acetate in glacial acetic acid as a solvent. The central piperidine ring adopts a chair conformation, and its least-squares basal plane forms dihedral angles of 85.71 (11) and 77.27 (11)° with the terminal aromatic rings. In the crystal, the mol­ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into double ribbons. The Hirshfeld surface analysis shows that the most important contributions are from H⋯H (68%), C⋯H/H⋯C (19%) and O⋯H/H⋯O (12%) inter­actions

Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[g][1,2,4]triazolo[1,5 c][1,3,5]oxadiazocine derivatives

In the title compounds, 9-bromo-2,5-dimethyl-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine, C13H13BrN4O (I), and 7-methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine, C18H17N5O2 (II), the triazole ring is inclined to the benzene ring by 85.15 (9) and 76.98 (5) in compounds I and II, respectively. In II, the pyridine ring is almost coplanar with the triazole ring, having a dihedral angle of 4.19 (8). In the crystal of I, pairs of N—HN hydrogen bonds link the molecules to form inversion dimers with an R2 2 (8) ring motif. The dimers are linked by C—H and C—Br interactions forming layers parallel to the bc plane. In the crystal of II, molecules are linked by N—HN and C—HO hydrogen bonds forming chains propagating along the b-axis direction. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, and the molecular electrostatic potential surface was also analysed. The Hirshfeld surface analysis of I suggests that the most significant contributions to the crystal packing are HH (42.4%) and OH/HO (17.9%) contacts. For compound II, the HH (48.5%), CH/ HC (19.6%) and NH/HN (16.9%) interactions are the most important contributions.The authors acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the Stoe IPDS 2 diffractometer (purchased under grant F. 279 of the University Research Fund) and the Council of Higher Education of Turkey, Mevlana Exchange Program (MEV-2016-027)

2-[(E)-4-Quinolylmethyl­ideneamino]­phenol

In the title compound, C16H12N2O, the dihedral angle between the two aromatic ring systems is 68.54 (5)°. The mol­ecular packing is stabilized by intra- and inter­molecular O—H⋯N and intra­molecular C—H⋯N hydrogen-bond inter­actions

Green formation of novel pyridinyltriazole-salicylidene schiff bases

Aim and Objective: In this work, water was used as solvent for the eco-friendly synthesis of imines under microwave irradiation. In the first step of the study, 5-pyridinyl-3-amino-1,2,4-triazole hydrochlorides were synthesized in the reaction of amino guanidine hydrochloride with different pyridine carboxylic acids under acid catalysis. A green method for 5-pyridinyl-3-amino-1,2,4-triazoles was developed with the assistance of microwave synthesis. In the second step, the eco-friendly synthesis of imines was achieved by reacting 5- pyridinyl-2H-1,2,4-triazol-3-amine hydrochlorides with salicylic aldehyde derivatives to produce 2-(5- pyridinyl-2H-1,2,4-triazol-3-ylimino)methyl)phenol imines. Materials and Methods: Microwave experiments were done using a monomode Anton Paar Monowave 300 microwave reactor (2.45 GHz). Reaction temperatures were monitored by an IR sensor. Microwave experiments were carried out in sealed microwave process vials G10 with maximum reaction volume of 10 mL. Results: When alternative methods were used, it was impossible to obtain good yields from ethanol. Nevertheless, the use of water was successful for this reaction. After 1-h microwave irritation, a yellow solid was obtained in 82% yield. Conclusion: In this work an eco-friendly protocol for the synthesis of Schiff bases from 5-(pyridin-2-, 3- or 4- yl)-3-amino-1,2,4-triazoles and substituted salicylic aldehydes in water under microwave irradiation was developed. Under the found conditions the high yields for the products were achieved at short reaction time and with an easy isolation procedure

Eco-friendly synthesis of novel thiohydantoin-type sulfur-containing imidazolinone derivatives from glycine ester

Imino derivatives of glycine ester were prepared from methyl glycinate by the known procedure and then they reacted with several amines under microwave irradiation without solvent that gave the corresponding glycine amides. By the one-component cyclocondensation, the obtained amide derivatives were transformed into thiohydantoin-type imidazolinones using solvent-free microwave procedure. All imine-ester derivatives and most of the imidazolinone derivatives were synthesized for the first time. This eco-friendly protocol can provide a suitable way for synthesizing new potentially bioactive imidazolinone derivatives

Bitki Virüslerinde Genom Yapısı ve Organizasyonu

Obligat bitki patojeni olan viral etmenler farklı şekil ve büyüklüklere sahip olup genellikle nükleik asit ve protein kılıftan oluşmaktadır. Bu yapılarından dolayı diğer bitki patojenlerindenfarklıdır. Viral genomlar, virüslerin bitkide replikasyonu ve genlerinin belirtilmesi için gerekliolan bilgiyi içermektedir. Bitkilerde hastalığa neden olan çoğu viral etmen nükleik asit olarakRNA içermektedir. Bitkilerde hastalık yapma mekanizmalarında direkt rol alan viral genom,çeşitli dış faktörlere bağlı olarak da evrimsel süreçlerde önemli rol oynamaktadır. Kültür bitkilerinde sorun olan virüslerin genomlarının oldukça sık genetik değişikliğe uğradığı bilinmektedir. Günden güne gelişen çeşitli moleküler biyoloji teknikleri genomları moleküler düzeydeanaliz etmeye ve modifiye etmeye olanak sağlamaktadır. Bitki virüs genomları küçük boyutlarda olduğundan moleküler düzeyde araştırmalara uygundur ve son 50 yılda bu konuda çoksayıda araştırma yapılmıştır. Bu sayede genomların organizasyonunu daha iyi anlamak olasıhâle gelmektedir. Virüslerin genom yapılarının anlaşılması onların tanılanmasına ve mücadeleyollarının geliştirilmesine ışık tutmaktadır

Ankara Çayı’na ait Pleistosen Yaşlı Teras Çökellerinin Jeokimyasal Özellikleri

Bu çalışmada, Ankara Çayı’na ait Pleistosen yaşlı teras çökellerinin jeokimyasal özelliklerinin belirlenmesi ve buna bağlı olarak kaynak alanındaki ayrışma derecesi, sedimanter döngü tarihçesi ve kaynak kayaların belirlenmesi amaçlanmıştır. İncelenen çökellerin CIA, PIA ve ICV değerleri sırasıyla 58.6, 58.7 ve 1.58 olarak belirlenmiştir. Söz konusu çökellerin genel olarak basit sedimanter döngüye maruz kaldığı ve kaynak alanından çok uzaklara taşınmadığı için çökellerin kimyasal bileşimlerinin çoğunlukla kaynak kaya bileşiminin kontrolü altında olduğu saptanmıştır. İncelen örneklerin Al2O3/TiO2, La/Sc, Co/Th ve Th/Sc oranlarının sırasıyla 8-21, 2.52-4.4, 1.50-2.19 ve 0.70-1.03 arasında değiştiği belirlenmiştir. Ayrıca, çökeller negatif Eu anomalisi ve yüksek HNTE/ANTE oranları içermektedir. Bu veriler doğrultusunda, çalışma alanında muhtemelen, zayıf-orta kimyasal ayrışma, zaman zaman yüksek tektonik aktivite ve yüksek erozyon olduğu, teras çökellerin ortaç veya felsik-mafik bileşimli kaynaktan malzeme aldığı ve kimyasal olarak olgun olmadığı kanısına varılmıştır

Cycloaddition of enamines with 1,4-dimethoxy-2-butyne and 2-butyne-1,4-diol mediated by titanium tetrachloride

Enamines are versatile compounds capable of alkylations, acylations, cycloadditions and annulation cascades. They are also involved in a range of heterocycle-forming processes.1,2 The broad applicability of heterocyclic secondary enamines in synthesis has been amply demonstrated in the past two decades.3,4 The reaction conditions, yield and nature of enamine ring-opening have received great attention in the literature.The authors acknowledge the late Prof. J. P. Anselme, for his help and advice with English and editing and checking the revised article. This investigation was supported by a grant from Namk Kemal University Scientific Research Projects Coordination Department (Project No. NKUBAP. 00.10.YL.14.06)