17 research outputs found
N-(3-Fluorobenzoyl)-N′,N′′-bis(4-methylphenyl)phosphoric triamide
In the title compound, C21H21FN3O2P, the NH and P(=O) groups of the C(=O)NHP(=O) fragment are in a syn arrangement with respect to each other, as are the two amide H atoms of the two CH3–4-C6H4–NH moieties. In the crystal, molecules are linked through N—H⋯O(=P) and N—H⋯O(=C) hydrogen bonds, forming R
2
2(8) and R
2
2(12) rings, which are arranged in chains parallel to [010]
N,N′-Dibenzyl-N,N′-dimethyl-N′′-(2-phenylacetyl)phosphoric triamide
The P atom in the title molecule, C24H28N3O2P, is in a distorted tetrahedral P(=O)(N)(N)2 environment. The phosphoryl group and the NH unit adopt a syn orientation with respect to each other and the N atoms have sp
2 character. The P—N bonds in the P(O)[N(CH3)(CH2C6H5)]2 unit are shorter than the P—N bond in the C(=O)NHP(=O) fragment. An intramolecular C—H⋯O hydrogen bond occurs. In the crystal, pairs of P=O⋯H—N hydrogen bonds form centrosymmetric dimers. C—H⋯O contacts are also observed. Four C atoms of two benzene rings are disordered over two alternative sites with an occupancy ratio of 0.523 (12):0.427 (12)
N,N′-Dicyclohexyl-N′′-(3-fluorobenzoyl)-N,N′-dimethylphosphoric triamide
In the title compound, C21H33FN3O2P, the P atom has a distorted tetrahedral environment and the N atoms display geometries consistent with a model of sp
2 hybridization (with bond-angle sums for the tertiary N atoms of 357.8 and 358.7°). The phosphoryl and carbonyl groups are anti with respect to each other. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
2
2(8) loops
N,N′-Dibenzyl-N″-(2,4-difluorobenzoyl)-N,N′- dimethylphosphoric triamide
In the title molecule, C23H24F2N3O2P, the P atom is in a distorted tetrahedral P(=O)(N)(N)2 environment, with the bond angles around the P atom in the range 106.78 (11)–114.10 (13)°. The phosphoryl and carbonyl groups, which are separated by an N atom, adopt an anti orientation relative to each other. In the C(=O)NHP(=O) fragment, the P—N bond is longer [1.683 (2) Å] and the O—P—N angle is smaller [106.78 (11)°] than the other P—N bonds [1.613 (2) and 1.632 (2) Å] and O—P—N bond angles [114.10 (13) and 110.83 (12)°], respectively. The N atoms have sp 2 character. In the crystal, pairs of P=O⋯H—N hydrogen bonds form inversion dimers with R 2 2(8) ring motifs.Financial support from the Spanish Ministerio de Educacion y Ciencia (MAT2006–01997, MAT2010–15094 and the `Factoría de Cristalización' Consolider Ingenio 2010) and FEDER funding is acknowledged.Peer reviewe
DBU: An Efficient Base Catalyst for Synthesis of the New Oxazolo[5,4-d]pyrimidine Derivatives
<div><p></p><p>New types of oxazolo[5,4-d]pyrimidines were synthesized via 1,8-diazabicyclo[5,4,0]undec-7-ene-catalyzed heteroannulation of 2-substituted 5-amino-4-cyano-1,3-oxazoles with various isothiocyanates.</p>
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Tetramethylammonium hydrogen terephthalate
The asymmetric unit of the title salt, C4H12N+&#183;C8H5O4&#8722;, contains one half of a tetramethylammonium cation and one half of a hydrogen terephthalate monoanion. The N atom of the ammonium cation lies on a twofold rotation axis and the centre of mass of the terephthalate anion is on a centre of inversion. In the crystal, the centrosymmetric terephthalate ions are linked by a very short symmetric O&#8212;H...O hydrogen bond [O...O = 2.4610&#8197;(19)&#8197;&#197;] into a one-dimensional polymeric chain along [1-12]. The tetramethylammonium cations and terephthalate anions are then connected through a pair of bifurcated acceptor C&#8212;H...O hydrogen bonds, generating a three-dimensional supramolecular network. The carboxylate groups at both ends of the terephthalate anion are charge-shared with an equal probability of 0.5
5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
In the title compound, C5H5N3O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007&#8197;(1)&#8197;&#197; from the least-squares plane. The N atom of the amine group exhibits sp2 character (sum of bond angles around this atom = 358&#176;). In the crystal, molecules are aggregated by two kinds of N&#8212;H...N hydrogen bonds into fused R22(12) and R66(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101)