DFT/B3LYP ve HF Metodları Kullanılarak 4,5-Dihidro-1H-1,2,4-triazol-5-on Türevlerinin Teorik Özelliklerinin İncelenmesi
نویسندگان
چکیده
منابع مشابه
3-Phenyl-1H-1,2,4-triazol-5-amine–5-phenyl-1H-1,2,4-triazol-3-amine (1/1)
In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine mol-ecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3 (2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, t...
متن کامل3-Benzylsulfanyl-1H-1,2,4-triazol-5-amine
In the title mol-ecule, C(9)H(10)N(4)S, the dihedral angle between the benzene and triazole rings is 81.05 (5)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite zigzag chains along [010].
متن کاملBağlı Veri Teknolojileri Kullanılarak Üniversite Verisinin Bütünleştirilmesi ve Yayınlanması
Özet Üniversiteler, öğrenci, öğretim üyesi, ders, proje, fakülte konumları, kütüphane gibi birçok kavram hakkında büyük miktarda veriye sahip kurumlardır. Üniversitelerde öğrenci bilgi sistemi, kütüphane arşiv yazılımı, araştırma projeleri yönetim sistemi, ders yönetim sistemi, personel yönetim sistemi, coğrafi bilgi sistemi gibi her biri farklı bir gereksinimi karşılayan birçok yazılım bir ara...
متن کامل5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole
In the title compound, C(15)H(11)N(5)O, which was prepared as part of a study to identify fluoro-genic substrates for the Cu-catalysed azide-alkyne cyclo-addition (CuAAC) reaction, the benzoxa-diazole unit and the triazole ring are much more closely coplanar [dihedral angle = 10.92 (7)°] than either is to the benzyl group [dihedral angles = 69.13 (3)° and 78.20 (4)°, respectively]. The crystal ...
متن کامل5-(4-Hexyl-1H-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole
The title compound, C(14)H(17)N(5)O, a 1,2,3-triazole derivative of benzoxadiazole (C(14)H(17)N(5)O), was synthesized via Cu-catal-ysed azide-alkyne cyclo-addition (CuAAC) from the corres-ponding n-octyne and 4-azido-benzoxadiazole. The benz-oxa-diazole and triazole rings show a roughly planar orientation [dihedral angle between the ring planes = 12.18 (5)°]. The alkane chain adopts a zigzag co...
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ژورنال
عنوان ژورنال: Nevşehir Bilim ve Teknoloji Dergisi
سال: 2016
ISSN: 2148-466X
DOI: 10.17100/nevbiltek.284730