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 "inter-"
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Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[( E )-(2-phenyl-hydrazinyl-idene)meth-yl]quinoline.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Jun 07; Vol. 75 (Pt 7), pp. 964-968. Date of Electronic Publication: 2019 Jun 07 (Print Publication: 2019).

Abstract:A new quinoline-based hydrazone, C 16 H 12 ClN 3 , was synthesized by a condensation reaction of 2-chloro-3-formyl-quinoline with phenyl-hydrazine. The quinoline ring system is essentially planar (r.m.s. deviation = 0.012 Å), and forms a dihedral angle...

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Crystal structure, Hirshfeld surface analysis and HOMO-LUMO analysis of ( E )- N '-(3-hy-droxy-4-meth-oxy-benzyl-idene)nicotinohydrazide monohydrate.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 May 14; Vol. 75 (Pt 6), pp. 804-807. Date of Electronic Publication: 2019 May 14 (Print Publication: 2019).

Abstract:The mol-ecule of the title Schiff base compound, C 14 H 13 N 3 O 3 ·H 2 O, displays a trans configuration with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 29.63 (7)°. The crystal structure features inter-molecu...

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Crystal structure and Hirshfeld surface analysis of ( E )-2-[1-hy-droxy-2-(pyridin-2-yl)eth-yl]-4-[2-(4-meth-oxy-phen-yl)diazen-1-yl]phenol.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Apr 09; Vol. 75 (Pt 5), pp. 600-603. Date of Electronic Publication: 2019 Apr 09 (Print Publication: 2019).

Abstract:In the title compound, C 20 H 19 N 3 O 3 , the configuration about the azo N=N bond is E , and the central benzene ring is inclined to the pyridine ring by 31.43 (8)° and to the 4-meth-oxy-phenyl ring by 4.73 (8)°. In the crystal, mol-ecules are linked...

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( E )-2-(2-Hy-droxy-3-methyl-benzyl-idene)- N -methyl-hydrazine-1-carbo-thio-amide: supra-molecular assemblies in two-dimensions mediated by N-H⋯S and C-H⋯π inter-actions.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Apr 05; Vol. 75 (Pt 5), pp. 571-575. Date of Electronic Publication: 2019 Apr 05 (Print Publication: 2019).

Abstract:In the title compound, C 10 H 13 N 3 OS, the azomethine C=N double bond has an E configuration. The phenyl ring and methyl-hydrazine carbo-thio-amide moiety [maximum deviation = 0.008 (2) Å] are twisted slightly with a dihedral angle of 14.88 (10)°. In...

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Crystal structure of 4,5,6,7,8,8-hexa-chloro-2-(3,4-di-meth-oxy-pheneth-yl)-3a,4,7,7a-tetra-hydro-1 H -4,7-methano-iso-indole-1,3(2 H )-dione [+solvent].

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Apr 02; Vol. 75 (Pt 5), pp. 562-564. Date of Electronic Publication: 2019 Apr 02 (Print Publication: 2019).

Abstract:In the title compound, C 19 H 15 Cl 6 NO 4 [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83 (12)° wit...

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The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2 H -chromen-4-yl)-oxy]acet-yl}piperazin-1-yl)acetamide and N -(2,4-di-meth-oxy-benz-yl)-2-[(2-oxo-2 H -chromen-4-yl)-oxy]acetamide.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Mar 26; Vol. 75 (Pt 4), pp. 482-488. Date of Electronic Publication: 2019 Mar 26 (Print Publication: 2019).

Abstract:The title compounds, 2-(4-{2-[(2-oxo-2 H -chromen-4-yl)-oxy]acet-yl}piperazin-1-yl)acetamide, C 17 H 19 N 3 O 5 , (I), and N -(2,4-di-meth-oxy-benz-yl)-2-[(2-oxo-2 H -chromen-4-yl)-oxy]acetamide, C 20 H 19 NO 6 , (II), are new coumarin derivatives. In ...

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Crystal structure and Hirshfeld surface analysis of two 5,11-methano-benzo[ g ][1,2,4]triazolo[1,5- c ][1,3,5]oxa-diazo-cine derivatives.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Mar 26; Vol. 75 (Pt 4), pp. 492-498. Date of Electronic Publication: 2019 Mar 26 (Print Publication: 2019).

Abstract:In the title compounds, 9-bromo-2,5-dimethyl-11,12-di-hydro-5 H -5,11-methano-benzo[ g ][1,2,4]triazolo[1,5- c ][1,3,5]oxa-diazo-cine, C 13 H 13 BrN 4 O ( I ), and 7-meth-oxy-5-methyl-2-(pyridin-4-yl)-11,12-di-hydro-5 H -5,11-methano-benzo[ g ][1,2,4]t...

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Crystal structure of NiFe(CO) 5 [tris(pyridyl-meth-yl)aza-phosphatrane]: a synthetic mimic of the NiFe hydrogenase active site incorporating a pendant pyridine base.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Mar 11; Vol. 75 (Pt 4), pp. 438-442. Date of Electronic Publication: 2019 Mar 11 (Print Publication: 2019).

Abstract:The reaction of Ni(TPAP)(COD) {where TPAP = [(NC 5 H 4 )CH 2 ] 3 P(NC 2 H 4 ) 3 N} with Fe(CO) 5 resulted in the isolation of the title heterobimetallic NiFe(TPAP)(CO) 5 complex di-μ-carbonyl-tricarbon-yl[2,8,9-tris-(pyridin-2-yl-meth-yl)-2,5,8,9-tetra...

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Utilizing Hirshfeld surface calculations, non-covalent inter-action (NCI) plots and the calculation of inter-action energies in the analysis of mol-ecular packing.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Feb 05; Vol. 75 (Pt 3), pp. 308-318. Date of Electronic Publication: 2019 Feb 05 (Print Publication: 2019).

Abstract:The analysis of atom-to-atom and/or residue-to-residue contacts remains a favoured mode of analysing the mol-ecular packing in crystals. In this contribution, additional tools are highlighted as methods for analysis in order to complement the 'crystall...

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Inter-molecular inter-actions in a phenol-substituted benzimidazole.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Jan 29; Vol. 75 (Pt 2), pp. 272-276. Date of Electronic Publication: 2019 Jan 29 (Print Publication: 2019).

Abstract:Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1 H -benzimidazole was isolated as the acetone disolvate, C 22 H 20 N 2 O 2 ·2C 3 ...

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