منابع مشابه
1-Furoyl-3-methyl-3-phenylthiourea
The title compound, C(13)H(12)N(2)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The two mol-ecules differ in the conformation of the thio-carbonyl and carbonyl groups, and show the typical geometric parameters of substituted thio-urea derivatives. The crystal structure is mainly stabilized by inter-molecular N-H⋯O hydrogen bonding.
متن کامل1-Furoyl-3-[3-(trifluoromethyl)phenyl]thiourea
The title compound, C(13)H(9)F(3)N(2)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core is roughly coplanar with the furan and benzene rings, showing O-C-N-C(S) torsion angles of 2.3 (4) and -11.4 (2)° and (S)C-N-C-C torsion angles of -2.4 (4) and -28.8 (4)°, respectively, in the two independent mol-ecules. The trans-cis geometry of the thio-u...
متن کاملRedetermination of 1-benzyl-3-furoyl-1-phenylthiourea
The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thi...
متن کاملAb Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene
Ab initio calculations at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the importantenergy-minimum conformations and transition-state geometries of 1, 3-diazacyclohepta-1, 2-diene (2) and 1, 3-diazacycloocta-1, 2-diene (3). The C2 symmetric twist-chair (2-TC)conformation of 2 is calculated to be 7.4 kJ...
متن کامل2 3 1 1 1 0 0 0 0 1 1 1 2 3 1 2 3 1 3 2 2 3 Adjacency matrix Adjacency list
Graphs and Digraphs: A graph G = (V,E) is a structure that represents a discrete set V objects, called vertices or nodes, and a set of pairwise relations E between these objects, called edges. Edges may be directed from one vertex to another or may be undirected. The term “graph” means an undirected graph, and directed graphs are often called digraphs (see Fig. 1). Graphs and digraphs provide a...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2008
ISSN: 1600-5368
DOI: 10.1107/s1600536808012208