There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(21)H(18)N(4)O(4). The substituted benzopyran portion of one of the independent mol-ecules exhibits disorder [occupancy 0.5248 (18):0.4752 (18)], which was modelled by using two sets of atomic positions and restraints on the chemically equivalent bond lengths and angles. The central, partially saturated pyrimidine rings of both independent mol-ecules were found to assume unsymmetrical half-chair conformations. The hy-droxy-phenyl substituent occupies an equatorial position in both mol-ecules, and is rotated by 55.6 (1)° from the mean plane of the pyrimidine ring in one independent mol-ecule, and by 53.4 (1)° in the other. In the crystal, there are two types of inter-molecular hydrogen bond present: reciprocal N-H⋯N inter-actions join the two crystallographically independent mol-ecules into a dimer and O-H⋯N inter-actions link the dimers into sheets in the ab plane.
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http://dx.doi.org/10.1107/S160053681005052X | DOI Listing |
Acta Crystallogr E Crystallogr Commun
October 2024
The mol-ecule of the title compound, [Ni(CHO)(CHN)(HO)]·CHOH, has triclinic () symmetry. This compound is of inter-est for its anti-microbial properties. The asymmetric unit comprises two independent complex mol-ecules, which are linked by N-H⋯O and O-H⋯O hydrogen bonds along [111].
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2024
Institut für Anorganische Chemie, Universität Kiel, Max-Eyth.-Str. 2, D-24118 Kiel, Germany.
The reaction of Zn(ClO)·6HO with NaSbS·9HO in a water/aceto-nitrile mixture leads to the formation of the title compound, (μ-tetra-thio-anti-monato-κ :')bis-[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ )zinc(II)] perchlorate 0.8-hydrate, [Zn(SbS)(CHN)]ClO·0.8HO or [(Zn-cyclam)(SbS)][ClO]·0.
View Article and Find Full Text PDFIUCrdata
November 2024
School of Chemistry and Physics, University of KwaZulu-Natal, Westville campus, Private bag X54001, Durban, 4000, South Africa.
The crystal structure of the title compound, CHNOS, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2024
Institut für Anorganische Chemie, Universität Kiel, Max-Eyth.-Str. 2, 24118 Kiel, Germany.
Reaction of copper(I)chloride with 2,3-di-methyl-pyrazine in ethanol leads to the formation of the title compound, poly[[μ-chlorido-μ-(2,3-di-methyl-pyrazine)-copper(I)] ethanol hemisolvate], {[CuCl(CHN)]·0.5CHOH} or CuCl(2,3-di-methyl-pyrazine) ethanol hemisolvate. Its asymmetric unit consists of two crystallographically independent copper cations, two chloride anions and two 2,3-di-methyl-pyrazine ligands as well as one ethanol solvate mol-ecule in general positions.
View Article and Find Full Text PDFA new triazole-based -heterocyclic carbene Ir cationic complex with a tetra-fluorido-borate counter-anion and hemi-solvating di-chloro-methane, [Ir(CH)(CHN)(CHP)]BF·0.5CHCl, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one di-chloro-methane solvent mol-ecule per two ion pairs.
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