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Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2 H -chromen-4-yl)-oxy]acetic acid dimethyl sulfoxide monosolvate.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Jul 09; Vol. 75 (Pt 8), pp. 1123-1127. Date of Electronic Publication: 2019 Jul 09 (Print Publication: 2019).

Abstract:The title compound, C 11 H 8 O 5 ·(CH 3 ) 2 SO, is a new coumarin derivative. The asymmetric unit contains two coumarin mol-ecules ( A and B ) and two di-methyl-sulfoxide solvent mol-ecules ( A and B ). The dihedral angle between the pyran and benzene ...

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Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-tri-methyl-benz-yl)oxazolidin-2-yl]phenol.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jun 10; Vol. 78 (Pt 7), pp. 695-698. Date of Electronic Publication: 2022 Jun 10 (Print Publication: 2022).

Abstract:The title compound, C 20 H 24 BrNO 2 , is chiral at the carbon atoms on either side of the oxygen atom of the oxazolidine ring and crystallizes as a racemate. The 1,3-oxazolidine ring adopts an envelope conformation with the N atom in an endo position....

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Crystal structures of methyl 3,5-di-methyl-benzoate, 3,5-bis-(bromo-meth-yl)phenyl acetate and 5-hy-droxy-benzene-1,3-dicarbaldehyde.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jun 07; Vol. 78 (Pt 7), pp. 682-686. Date of Electronic Publication: 2022 Jun 07 (Print Publication: 2022).

Abstract:The crystal structures of the title compounds, methyl 3,5-di-methyl-benzoate (C 10 H 12 O 2 ; 1 ), 3,5-bis-(bromo-meth-yl)phenyl acetate (C 10 H 10 Br 2 O 2 ; 2 ) and 5-hy-droxy-benzene-1,3-dicarbaldehyde (C 8 H 6 O 3 ; 3 ) were determined by single-cr...

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Crystal structure and Hirshfeld surface analysis of 2-chloro- N -(4-meth-oxy-phen-yl)acetamide.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jun 07; Vol. 78 (Pt 7), pp. 687-690. Date of Electronic Publication: 2022 Jun 07 (Print Publication: 2022).

Abstract:In the title mol-ecule, C 9 H 10 ClNO 2 , the meth-oxy group lies very close to the plane of the phenyl ring while the acetamido group is twisted out of this plane by 28.87 (5)°. In the crystal, a three-dimensional structure is generated by N-H⋯O, C-H⋯...

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The co-crystal 4,6-di-acetyl-resorcinol-1-amino-pyrene (2/1).

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 May 31; Vol. 78 (Pt 6), pp. 679-681. Date of Electronic Publication: 2022 May 31 (Print Publication: 2022).

Abstract:The structure of the title mol-ecular complex, C 16 H 11 N·2C 10 H 10 O 4 , at 150 K has been determined. The mol-ecules form stacks consisting of aggregates with disordered 1-amino-pyrene mol-ecule surrounded by two 4,6-di-acetyl-resorcinol mol-ecules...

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Crystal structure and Hirshfeld surface analysis of 2-(4-chloro-phen-yl)-4-(di-meth-oxy-meth-yl)-5-phenyl-1,3-thia-zole.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 May 27; Vol. 78 (Pt 6), pp. 675-678. Date of Electronic Publication: 2022 May 27 (Print Publication: 2022).

Abstract:In the title compound, C 18 H 16 ClNO 2 S, the thia-zole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chloro-phenyl and phenyl rings, respectively. In the crystal, C-H⋯π inter-actions link the mol-ecules, forming a thr...

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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).

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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