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Synthesis and crystal structure of 2-(2-hy-droxy-phen-yl)-1,3-bis-(4-meth-oxy-benz-yl)-1,3-diazinan-5-ol.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jun 28; Vol. 78 (Pt 7), pp. 742-745. Date of Electronic Publication: 2022 Jun 28 (Print Publication: 2022).

Abstract:The redetermined structure of 2-(2-hy-droxy-phen-yl)-1,3-bis-(4-meth-oxy-benz-yl)-1,3-diazinan-5-ol, C 26 H 30 N 2 O 4 , at 173 K has ortho-rhom-bic ( Pbca ) symmetry. It was previously described by Bolte et al. [ Private Communication (refcode EWICEV)...

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Crystal structure and Hirshfeld surface analysis of ( E )-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]diazene.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jun 16; Vol. 78 (Pt 7), pp. 732-736. Date of Electronic Publication: 2022 Jun 16 (Print Publication: 2022).

Abstract:The mol-ecule of the title compound, C 14 H 8 Br 3 N 3 O 2 , consists of three almost planar groups: the central di-bromo-ethenyldiazene fragment and two attached aromatic rings. The mean planes of these rings form dihedral angles with the plane of the...

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Crystal structure and Hirshfeld surface analysis of 2,2'-(phenyl-aza-nedi-yl)bis-(1-phenyl-ethan-1-one).

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. 691-694. Date of Electronic Publication: 2022 Jun 07 (Print Publication: 2022).

Abstract:The whole mol-ecule of the title compound, C 22 H 19 NO 2 , is generated by twofold rotational symmetry. The N atom exhibits a trigonal-planar geometry and is located on the twofold rotation axis. In the crystal, mol-ecules are linked by C-H⋯O contacts...

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Crystal structure and Hirshfeld surface analysis of ( E )-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

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. 530-535. Date of Electronic Publication: 2022 Apr 28 (Print Publication: 2022).

Abstract:In the title compound, C 14 H 8 Br 2 FN 3 O 2 , the 4-fluoro-phenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)°. Mol-ecules in the crystal are connected by C-H⋯O and C-H⋯F hydrogen bonds into layers parallel to (011)...

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Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thia-diazol-2-amine.

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. 453-457. Date of Electronic Publication: 2022 Mar 31 (Print Publication: 2022).

Abstract:The title compound, C 11 H 8 N 4 OS, crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, the N-H⋯N and C-H⋯N hydrogen bonds connect the mol-ecules, generating double layers parallel to the (001) plane. The layers are jo...

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Crystal structure and Hirshfeld surface analysis of 2-(2-hy-droxy-phen-yl)quinoline-6-sulfonamide.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 17; Vol. 78 (Pt 4), pp. 409-413. Date of Electronic Publication: 2022 Mar 17 (Print Publication: 2022).

Abstract:In the title compound, C 15 H 12 N 2 O 3 S, there are two mol-ecules ( A and B ) in the asymmetric unit. The attached phenol and quinoline moieties of each mol-ecule are almost coplanar with a dihedral angle of 6.05 (15)° for mol-ecule A and 1.89 (13)°...

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Crystal structure and Hirshfeld surface analysis of ( E )-1-[2,2-di-bromo-1-(2-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 17; Vol. 78 (Pt 4), pp. 404-408. Date of Electronic Publication: 2022 Mar 17 (Print Publication: 2022).

Abstract:In the title compound, C 14 H 8 Br 2 FN 3 O 2 , the nitro-substituted benzene ring and the 4-fluoro-phenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, mol-ecules are linked into chains by C-H⋯O hydrogen bonds running parallel to the c -ax...

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Crystal structures of N -[4-(tri-fluoro-meth-yl)phen-yl]benzamide and N -(4-meth-oxy-phen-yl)benz-amide at 173 K: a study of the energetics of conformational changes due to crystal packing.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Feb 08; Vol. 78 (Pt 3), pp. 297-305. Date of Electronic Publication: 2022 Feb 08 (Print Publication: 2022).

Abstract:As a part of our study of the syntheses of aryl amides, the crystal structures of two benzamides were determined from single-crystal X-ray data at 173 K. Both crystal structures contain mol-ecular units as asymmetric units with no solvent in the unit c...

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Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo- N -phenyl-3,4-di-hydro-quinazoline-2-carbo-thio-amide.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jan 01; Vol. 78 (Pt 1), pp. 47-50. Date of Electronic Publication: 2022 Jan 01 (Print Publication: 2022).

Abstract:The asymmetric unit of the title compound, C 16 H 13 N 3 OS, comprises two mol-ecules ( A and B ) with similar conformations that differ mainly in the orientation of the phenyl group relative to the rest of the mol-ecule, as expressed by the C thio-ami...

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Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]benzo-furan-2(3 H )-one.

Publication Type:Academic Journal

Source(s):Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2021 Nov 12; Vol. 77 (Pt 12), pp. 1280-1284. Date of Electronic Publication: 2021 Nov 12 (Print Publication: 2021).

Abstract:In the title compound, C 16 H 14 N 2 O 2 , the 2,3-di-hydro-1-benzo-furan ring system is essentially planar and makes a dihedral angle of 3.69 (7)° with the di-methyl-phenyl ring. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hy...

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