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 "inter-"
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Crystal structures of two isostructural bivalent metal N -benzoyl-glycinates.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Jul 10; Vol. 76 (Pt 8), pp. 1260-1265. Date of Electronic Publication: 2020 Jul 10 (Print Publication: 2020).

Abstract:The crystal structures of two coordination compounds of N -benzoyl-glycine, viz. catena -poly[[[di-aqua-bis-( N -benzoyl-glycinato)cobalt(II)]-μ-aqua] dihydrate], {[Co(C 9 H 8 NO 3 ) 2 (H 2 O) 3 ]·2H 2 O} n , 1 , and catena -poly[[...

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Crystal structures and Hirshfeld surface analyses of 6,8-dimeth-oxy-3-methyl-1 H -isochromen-1-one and 5-bromo-6,8-dimeth-oxy-3-methyl-1 H -isochromen-1-one chloro-form monosolvate.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Jun 19; Vol. 76 (Pt 7), pp. 1107-1112. Date of Electronic Publication: 2020 Jun 19 (Print Publication: 2020).

Abstract:In the mol-ecule of 6,8-dimeth-oxy-3-methyl-1 H -isochromen-1-one, C 12 H 12 O 4 , ( I ), the two meth-oxy groups are directed anti with respect to each other. In the mol-ecule of the brom-inated derivative, 5-bromo-6,8-dimeth-oxy-3-methyl-1 H -isochro...

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The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth-oxy-carbon-yl)-3,6-bis-(meth-oxy-meth-oxy)phen-yl]acetic acid.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Jun 19; Vol. 76 (Pt 7), pp. 1101-1106. Date of Electronic Publication: 2020 Jun 19 (Print Publication: 2020).

Abstract:In the title compound, C 14 H 18 O 8 , ( I ), the meth-oxy-carbonyl [-C(=O)OCH 3 ] and the acetic acid [-CH 2 C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral ang...

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Crystal structure of 4-methyl- N -propyl-benzene-sulfonamide.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Jun 12; Vol. 76 (Pt 7), pp. 1070-1074. Date of Electronic Publication: 2020 Jun 12 (Print Publication: 2020).

Abstract:The crystal structure of the title sulfonamide, C 10 H 15 NO 2 S, comprises two mol-ecules in the asymmetric unit. The S=O bond lengths of the sulfonamide functional group range from 1.428 (2) to 1.441 (2) Å, with S-C bond lengths of 1.766 (3) Å (for b...

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Crystal structure of N , N -diisopropyl-4-methyl-benzene-sulfonamide.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Jun 05; Vol. 76 (Pt 7), pp. 1018-1021. Date of Electronic Publication: 2020 Jun 05 (Print Publication: 2020).

Abstract:The synthesis of the title compound, C 13 H 21 NO 2 S, is reported here along with its crystal structure. This compound crystallizes with two mol-ecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond length...

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Crystal structure and Hirshfeld surface analysis of 4-{2,2-di-chloro-1-[( E )-(4-fluoro-phen-yl)diazen-yl]ethen-yl}- N , N -di-methyl-aniline.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 May 06; Vol. 76 (Pt 6), pp. 811-815. Date of Electronic Publication: 2020 May 06 (Print Publication: 2020).

Abstract:In the title compound, C 16 H 14 Cl 2 FN 3 , the dihedral angle between the two aromatic rings is 64.12 (14)°. The crystal structure is stabilized by a short Cl⋯H contact, C-Cl⋯π and van der Waals inter-actions. The Hirshfeld surface analysis and two-d...

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Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1 H -pyra-zolo[3,4- d ]pyrimidin-1-yl)acetic acid.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Aug 31; Vol. 78 (Pt 9), pp. 953-960. Date of Electronic Publication: 2022 Aug 31 (Print Publication: 2022).

Abstract:In the title mol-ecule, C 7 H 6 N 4 O 3 , the bicyclic ring system is planar with the carb-oxy-methyl group inclined by 81.05 (5)° to this plane. In the crystal, corrugated layers parallel to (010) are generated by N-H⋯O, O-H⋯N and C-H⋯O hydrogen-bondi...

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Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxo-spiro-[indoline-3,4'-pyran]-5'-carboxyl-ate.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Aug 26; Vol. 78 (Pt 9), pp. 942-946. Date of Electronic Publication: 2022 Aug 26 (Print Publication: 2022).

Abstract:The crystal used for structure determination contained, along with the title compound, C 17 H 14 BrN 3 O 4 , an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-di-hydro-1 H -indole ring system is nearly planar, while the conformation of the 4 H ...

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Synthesis, X-ray diffraction study, analysis of inter-molecular inter-actions and mol-ecular docking of ethyl 1-(3-tosyl-quinolin-4-yl)piperidine-4-carboxyl-ate.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Aug 09; Vol. 78 (Pt 9), pp. 890-896. Date of Electronic Publication: 2022 Aug 09 (Print Publication: 2022).

Abstract:The title compound, C 24 H 26 N 2 O 4 S, can be obtained via two synthetic routes. According to our investigations, the most suitable way is by the reaction of ethyl 2-bromo-acetate with sodium tosyl-sulfinate in dry DMF. It was crystallized from metha...

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Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid di-methyl-formamide monosolvate.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2020 Apr 24; Vol. 76 (Pt 5), pp. 728-731. Date of Electronic Publication: 2020 Apr 24 (Print Publication: 2020).

Abstract:The title compound, C 22 H 17 NO 2 ·C 3 H 7 NO, was synthesized by condensation of an aromatic aldehyde with a secondary amine and subsequent reduction. It was crystallized from a di-methyl-formamide solution as a monosolvate, C 22 H 17 NO 2 ·C 3 H 7 N...

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