The title mol-ecule, C(16)H(14)Cl(2)N(2), lies on an inversion center. The dihedral angle between the symmetry-related benzene rings is 0.02 (11)°. The mean plane of the central C(meth-yl)-C=N-N=C-C(meth-yl) unit forms a dihedral angle of 5.57 (12)° with the symmetry-unique benzene ring.
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http://dx.doi.org/10.1107/S1600536811049725 | DOI Listing |
Chem Asian J
January 2025
Department of Chemistry, University at Albany, State University of New York, Albany, NY, 12222, USA.
The two-fold reduction of tetrabenzo[a,c,e,g]cyclooctatetraene (TBCOT, or tetraphenylene, 1) with K, Rb, and Cs metals reveals a distinctive core transformation pathway: a newly formed C-C bond converts the central eight-membered ring into a twisted core with two fused five-membered rings. This C-C bond of 1.589(3)-1.
View Article and Find Full Text PDFLangmuir
January 2025
Applied Systems Analysis & Research, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States.
Salt formations have been explored for the permanent isolation of spent nuclear fuel based on their high thermal conductivity, self-healing nature, and low hydraulic permeability to brine flow. Vacancy defect concentrations in salt complicate fracture mechanics not driven by dislocation dynamics and can influence the resulting surface structure. Classical molecular dynamic simulations were used to simulate tensile testing of salt crystals (halite) with vacancy defect concentrations of up to 0.
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December 2024
University of Mainz, Department of Chemistry, Duesbergweg 10-14, 55099 Mainz, Germany.
The title compound CHClN, also named as TRAM-34, crystallizes in the monoclinic space group 2/n. The dihedral angles between the pyrazole ring and the three six-membered rings are 62.28 (9), 69.
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December 2024
School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South Africa.
The cation of the title salt, CHNO ·Br, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitro-phenyl rings and the N-C-C-O torsion angle associated with the hy-droxy-ethyl substituent is 60.15 (17)°.
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December 2024
EaStCHEM School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, United Kingdom.
In the title compound, CHNO the pyrrolidine ring is almost planar and subtends a dihedral angle of 85.77 (7)° with the pendant phenyl ring. An intra-molecular N-H⋯O hydrogen bond generates an (6) loop.
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