Results 41 to 50 of about 507,143 (197)
THE MINIMAL SET OF INTERMOLECULAR INTERACTIONS IN THE STRUCTURES OF SUBSTITUTED PROLINES
Studia Universitatis Babes-Bolyai Chemia, 2017 In this paper, the calculation of intermolecular interaction energy based on Gavezzotti–Filippini semi-empirical method was performed for the series of substituted prolines. The initial structural data were mined from Cambridge Structural Database.
Alexander BANARU, Alexander KOCHNEV
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Hydrogen-bonding interactions in the crystalline-phase structures of cinnamic acid derivatives [PDF]
, 1999 Secondary interactions responsible for the crystalline-phase structures of various cinnamic acids and cinnamic acid esters drawn from the Cambridge Structural Database were studied with the help of the Cerius package implemented on an SGI workstation ...
Pálinkó, István
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Intermolecular Interactions in Functional Crystalline Materials: From Data to Knowledge
Crystals, 2019 Intermolecular interactions of organic, inorganic, and organometallic compounds are the key to many composition−structure and structure−property networks.
Anna V. Vologzhanina
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Molecules, 2021 A series of N-pyridyl ureas bearing 1,2,4- (1a, 2a, and 3a) and 1,3,4-oxadiazole moiety (1b, 2b, 3b) was prepared and characterized by HRMS, 1H and 13C NMR spectroscopy, as well as X-ray diffraction.
Sergey V. Baykov +6 more
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Molecules, 2022 The phosphorus bond in chemical systems, which is an inter- or intramolecular noncovalent interaction, occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a covalently or coordinately bonded ...
Pradeep R. Varadwaj +3 more
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Bond length of perchlorate at different temperatures: X-ray and neutron comparison. [PDF]
, 2020 The averages (average deviations from the mean are given in square brackets) of uncorrected Cl-O bond distances in a perchlorate anion from an X-ray diffraction analysis of (N-{2-[bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide ...
Olmstead, Marilyn M
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Use of software to search for higher symmetry: space group C2 [PDF]
, 2001 From a search of the October 2000 release of the Cambridge Structural Database we find coordinate data for approximately 1500 entries under space group No. 5: C2 or, occasionally, A2, I2 or B112.
Marsh, Richard E., Spek, Anthony L.
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π-Hole Tetrel Bonds—Lewis Acid Properties of Metallylenes
Crystals, 2022 The MP2/aug-cc-pVTZ calculations were performed on the dihalometallylenes to indicate their Lewis acid and Lewis base sites. The results of the Cambridge Structural Database search show corresponding and related crystal structures where the tetrel center
Sławomir J. Grabowski
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Structural study of the coordination behavior of a tetradentate NO3-donor amino alcohol ligand toward a CdII:HgII mixture [PDF]
, 2017 In this work, the reaction of 2,2′,2″-nitrilotriethanol (NTE) with a 1:1 mixture of CdI2 and HgI2 is investigated. The complex [Cd(NTE)2][Hg2(μ-I)2I4] was synthesized and identified by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X ...
Golsanamlou, Vali +5 more
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N,N′-Bis(4-bromophenyl)-N,N′-dimethylurea
IUCrData, 2018 The structure of the title compound, C15H14Br2N2O, at 180 K has monoclinic (P21/n) symmetry. It was obtained unexpectedly from the decomposition of the parent 4-bromo-N-tert-butoxycarbonyl-N-methyl-aniline.
Alexandre Pocinho +3 more
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