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 "inter-"
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Di- tert -butyl-tin(IV)-hydroxide-iodide, t Bu 2 Sn(OH)I, the last missing member in the series of pure di- tert -butyl-tin(IV)-hydroxide-halides.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 May 20; Vol. 78 (Pt 6), pp. 633-637. Date of Electronic Publication: 2022 May 20 (Print Publication: 2022).

Authors:

Abstract: The crystal structure of di- tert -butyl-hydroxido-iodido-tin(IV), [Sn(C 4 H 9 ) 2 I(OH)] or t Bu 2 Sn(OH)I, consists of dimeric, centrosymmetric mol-ecules exhibiting the typical structural features of diorganotin(IV)-hydroxide-ha...

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First hydrogen-bonded adduct of sterically hindered 2- tert -butyl-4-methyl-phenol (TBMP) with 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1 3,8 ]dodecane (TATD) via coupling of classical hydrogen bonds and C-H⋯π non-covalent inter-actions.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 May 17; Vol. 78 (Pt 6), pp. 599-602. Date of Electronic Publication: 2022 May 17 (Print Publication: 2022).

Abstract: The title compound, C 8 H 16 N 4 ·2C 11 H 16 O, was synthesized from the corres-ponding sterically crowded phenol by treatment with the aminal cage polyamine. Single-crystal X-ray diffraction structural analysis revealed the three-mol-ecule aggregate t...

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Crystal structure and Hirshfeld surface analysis of 1-( tert -butyl-amino)-3-mesitylpropan-2-ol hemi-hydrate.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Apr 28; Vol. 78 (Pt 5), pp. 525-529. Date of Electronic Publication: 2022 Apr 28 (Print Publication: 2022).

Abstract: The title compound, 2C 16 H 27 NO·H 2 O, crystallizes in the monoclinic P 2 1 / c space group with two independent mol-ecules ( A and B ) in the asymmetric unit. In the crystal, mol-ecules A and B are linked through the water mol-ecules by inter-molecu...

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A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Apr 05; Vol. 78 (Pt 5), pp. 468-472. Date of Electronic Publication: 2022 Apr 05 (Print Publication: 2022).

Abstract: A new pseudopolymorph of berberine, 9,10-dimeth-oxy-5,6-di-hydro-2 H -7λ 5 -[1,3]dioxolo[4,5- g ]iso-quinolino-[3,2- a ]isoquinolin-7-ylium chloride methanol monosolvate, C 20 H 18 NO 4 + ·Cl - OH, was obtained during co-crystallization of berb...

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Synthesis and crystal structure of anti -10-butyl-10,11,22,23-tetra-hydro-9 H ,21 H -5,8:15,12-bis(metheno)[1,5,11]tri-aza-cyclo-hexa-decino[1,16- a :5,6- a ']di-indole.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Apr 05; Vol. 78 (Pt 5), pp. 477-480. Date of Electronic Publication: 2022 Apr 05 (Print Publication: 2022).

Abstract: The title compound, C 33 H 33 N 3 , is a carbazolophane, which is a cyclo-phane composed of two carbazole fragments. It has a planar chirality but crystallizes as a racemate in the space group P . The mol-ecule adopts an anti -configuration, in which t...

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Crystal structure of N -(1 H -indol-2-yl-methyl-idene)-4-meth-oxy-aniline.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 31; Vol. 78 (Pt 4), pp. 449-452. Date of Electronic Publication: 2022 Mar 31 (Print Publication: 2022).

Abstract: The mol-ecule of the title compound, C 16 H 14 N 2 O, contains an essentially planar indole ring system and a phenyl ring. In the crystal, the mol-ecules are linked by a weak inter-molecular C-H⋯O hydrogen bond and C-H⋯π inter-actions, forming a one-di...

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Structural study of bioisosteric derivatives of 5-(1 H -indol-3-yl)-benzotriazole and their ability to form chalcogen bonds.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 22; Vol. 78 (Pt 4), pp. 418-424. Date of Electronic Publication: 2022 Mar 22 (Print Publication: 2022).

Abstract: Recently, inter-est in the isosteric replacement of a nitro-gen atom to selenium, sulfur or oxygen atoms has been highlighted in the design of potential inhibitors for cancer research. In this context, the structures of 5-(1 H -indol-3-yl)-2,1,3-benzot...

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Crystal structure and Hirshfeld surface analysis of 7,7-dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octa-hydro-1 H -benzo[ f ]iso-indole-1,5(2 H )-dione.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 10; Vol. 78 (Pt 4), pp. 373-376. Date of Electronic Publication: 2022 Mar 10 (Print Publication: 2022).

Authors:

Abstract: The title compound, C 20 H 23 NO 2 , was obtained via the reaction of N -allyl- N -phenyl-acryl-amide with 3-iodo-cyclo-hex-2-en-1-one using PdCl 2 (PPh 3 ) 2 as a catalyst. The compound crystallizes in the monoclinic space group P 2 1 / c . The fused-...

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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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