Results 101 to 110 of about 4,190 (143)

Crystal structure and Hirshfeld surface analysis of 2-oxo-4-phenyl-2,5,6,7,8,9-hexa-hydro-1<i>H</i>-cyclohepta-[<i>b</i>]pyridine-3-carbo-nitrile. [PDF]

Acta Crystallogr E Crystallogr Commun
Rajapandiyan U, Rajkumar M, Manikandan H, Rajathi V, Selvanayagam S.   +4 more
europepmc   +1 more source

Crystal structure, spectroscopic characterization, and Hirshfeld surface analysis of (<i>E</i>)-6-(ferrocenylmethyl-idene)-6,7-di-hydro-5<i>H</i>-indeno-[5,6-<i>d</i>][1,3]dioxol-5-one. [PDF]

Acta Crystallogr E Crystallogr Commun
Méndez-Román JA, Burgos-Suazo A, Santiago-Martoral LN, Piñero Cruz DM, Montes-González I.   +4 more
europepmc   +1 more source

Comprehensive synthesis and characterization of a novel Fe-porphyrin complex: crystal structure, spectroscopic investigations, Hirshfeld surface analysis, and computational modeling (DFT, QTAIM-NCI/ELF). [PDF]

Front Chem
Dhifet M, Guelmami L, Zaki K, Zghab I, Sbai A, Gassoumi B.   +5 more
europepmc   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-<i>N</i>-(2,6-di-methyl-phen-yl)acetamide. [PDF]

Acta Crystallogr E Crystallogr Commun
El Moutaouakil Ala Allah A, Kariuki BM, Al-Sulami AI, Basha MT, Allehyani BH, Alsubari A, Mague JT, Ramli Y.   +7 more
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of bis-(benzoyl-acetonato)(ethanol)dioxidouranium(VI). [PDF]

Acta Crystallogr E Crystallogr Commun
Jabborova X, Tursinboyeva X, Ruzieva B, Turgunov K, Ashurov J, Tojiboev A, Daminova S.   +6 more
europepmc   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate. [PDF]

Acta Crystallogr E Crystallogr Commun
Abubakar Magaji M, Chen B, Robertson CC.
europepmc   +1 more source

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Hirshfeld surface analysis

CrystEngComm, 2009
In the last few years the analysis of molecular crystal structures using tools based on Hirshfeld surfaces has rapidly gained in popularity. This approach represents an attempt to venture beyond the current paradigm—internuclear distances and angles, crystal packing diagrams with molecules represented via various models, and the identification of close
Mark A. Spackman, Dylan Jayatilaka
openaire   +1 more source

Hirshfeld surface analysis of new phosphoramidates

Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, 2013
Hirshfeld surfaces and two-dimensional fingerprint plots are used to visualize and analyze intermolecular interactions in six new phosphoramidate structures, [2,6-F2-C6H3C(O)NH]P(O)[X]2 {X = N(C2H5)2 (1), [X]2 = NHCH2C(CH3)2CH2NH and with one CH3OH solvated molecule (2)}, [C6H5O]2P(O)Y [Y = NC4H8O (3), NHC6H4(3-Br) (4)] and [Z]2P(O)OP(O)[Z]2 [Z = N(CH3)
Atekeh, Tarahhomi, Mehrdad, Pourayoubi, James A, Golen, Poorya, Zargaran, Behrouz, Elahi, Arnold L, Rheingold, Marco A, Leyva Ramírez, Teresa, Mancilla Percino   +7 more
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Hirshfeld Surface Analysis of a Zn(II) Polymer

Координационная химия, 2015
A new Zn-based complex with oxalate, namely [NH2(CH3)2][Zn(Ox)1.5] · DMF · H2O (I) (Ox = oxalate), has been synthesized and structurally characterized. Single-crystal X-ray analysis of compound I reveals that the Ox ligand links the Zn(II) center, generating an intricate 2D classical honeycomb-like architecture (CIF file CCDC no. 1028787).
J. Wang, X. R. Wu, W. P. Wu, J. Q. Liu, A. Kumar   +4 more
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Hirshfeld surface analysis of two bendroflumethiazide solvates

Acta Crystallographica Section C Crystal Structure Communications, 2007
Bendroflumethiazide, or 3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, is reported to crystallize as 1:1 solvates with acetone, C(15)H(14)F(3)N(3)O(4)S(2).C(3)H(6)O, and N,N-dimethylformamide, C(15)H(14)F(3)N(3)O(4)S(2).C(3)H(7)NO.
Francesca P A, Fabbiani, Charlotte K, Leech, Kenneth, Shankland, Andrea, Johnston, Philippe, Fernandes, Alastair J, Florence, Norman, Shankland   +6 more
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