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Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemi-hydrate and 1,6-di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 26; Vol. 78 (Pt 8), pp. 833-839. Date of Electronic Publication: 2022 Jul 26 (Print Publication: 2022).

Abstract: In 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemihydrate, C 18 H 14 BrN 3 O·0.5H 2 O, (I), pairs of mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming dimers with an R (12) ring motif. The dime...

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Crystal structure and Hirshfeld surface analysis of a new polymorph of ( E )-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(3-nitro-phen-yl)ethen-yl]diazene.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 14; Vol. 78 (Pt 8), pp. 804-808. Date of Electronic Publication: 2022 Jul 14 (Print Publication: 2022).

Abstract: A new polymorph of the title compound, C 14 H 8 Br 3 N 3 O 2 , (form-2) was obtained in the same manner as the previously reported form-1 [Akkurt et al. (2022 ▸). Acta Cryst. E 78 , 732-736]. The structure of the new polymorph is stabilized by a C-H⋯O ...

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Synthesis, characterization, crystal structure and Hirshfeld surface analysis of a hexa-hydro-quinoline derivative: tert -butyl 4-([1,1'-biphen-yl]-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 14; Vol. 78 (Pt 8), pp. 798-803. Date of Electronic Publication: 2022 Jul 14 (Print Publication: 2022).

Abstract: The title compound, C 29 H 33 NO 3 , crystallizes with three mol-ecules ( A , B and C ) in the asymmetric unit. They differ in the twist of the phenyl and benzene rings of the 1,1'-biphenyl ring with respect to the plane of the 1,4-di-hydro-pyridine ri...

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Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetra-hydro-1,3,5-triazin-2-yl-idene)malono-nitrile di-methyl-formamide hemisolvate.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 12; Vol. 78 (Pt 8), pp. 779-784. Date of Electronic Publication: 2022 Jul 12 (Print Publication: 2022).

Abstract: The title compound, 2C 12 H 10 N 6 ·C 3 H 7 NO, crystallizes as a racemate in the monoclinic P 2 1 / c space group with two independent mol-ecules ( I and II ) and one di-methyl-formamide solvent mol-ecule in the asymmetric unit. Both mol-ecules ( I an...

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Crystal structure and Hirshfeld surface analysis of 2-(4-bromo-phen-yl)-4-methyl-6-oxo-1-phenyl-1,6-di-hydro-pyridine-3-carbo-nitrile.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 05; Vol. 78 (Pt 8), pp. 761-765. Date of Electronic Publication: 2022 Jul 05 (Print Publication: 2022).

Abstract: In the title compound, C 19 H 13 BrN 2 O, the pyridine ring is essentially planar [maximum deviation = 0.024 (4) Å for the N atom] and makes dihedral angles of 74.6 (2) and 65.8 (2)°, respectively, with the phenyl and bromo-phenyl rings, which subtend ...

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Crystal structure of 8-hex-yloxy-2-[( Z )-2-(naph-thal-en-2-yl)ethen-yl]quinoline.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 05; Vol. 78 (Pt 8), pp. 770-773. Date of Electronic Publication: 2022 Jul 05 (Print Publication: 2022).

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Abstract: In the title mol-ecule, C 27 H 27 NO, the naphthalene and quinoline groups are both planar and subtend a dihedral angle of 15.47 (7)°. They are nearly coplanar with the cis -vinyl bridge and the hex-yloxy chain, which adopts an all- trans conformation,...

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The crystal structure of the triclinic polymorph of 1,4-bis-([2,2':6',2''-terpyridin]-4'-yl)benzene.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Nov 29; Vol. 75 (Pt 12), pp. 1947-1951. Date of Electronic Publication: 2019 Nov 29 (Print Publication: 2019).

Abstract: The title triclinic polymorph (Form I) of 1,4-bis-([2,2':6',2''-terpyridin]-4'-yl)benzene, C 36 H 24 N 6 , was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the or...

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Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl picolinate.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Oct 29; Vol. 75 (Pt 11), pp. 1763-1767. Date of Electronic Publication: 2019 Oct 29 (Print Publication: 2019).

Abstract: 2-(4-Nitro-phen-yl)-2-oxoethyl picolinate, C 14 H 10 N 2 O 5 , was synthesized under mild conditions. The chemical and mol-ecular structures were confirmed by single-crystal X-ray diffraction analysis. The mol-ecules are linked by inversion into centro...

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Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-eth-oxy-2-oxoeth-yl)(phen-yl)carbamo-yl]-2-oxo-1,2-di-hydro-quinolin-1-yl}acetate.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Oct 29; Vol. 75 (Pt 11), pp. 1753-1758. Date of Electronic Publication: 2019 Oct 29 (Print Publication: 2019).

Abstract: The title com-pound, C 24 H 24 N 2 O 6 , consists of ethyl 2-(1,2,3,4-tetra-hydro-2-oxo-quinolin-1-yl)acetate and 4-[(2-eth-oxy-2-oxoeth-yl)(phen-yl)carbomoyl] units, where the oxo-quinoline unit is almost planar and the acetate substituent is nearly p...

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Crystal structure of benzyl N '-[(1 E ,4 E )-1,5-bis-(4-meth-oxy-phen-yl)penta-1,4-dien-3-yl-idene]hydrazine-1-carbodi-thio-ate.

Publication Type: Academic Journal

Source(s): Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Oct 03; Vol. 75 (Pt 11), pp. 1613-1619. Date of Electronic Publication: 2019 Oct 03 (Print Publication: 2019).

Abstract: In the title hydrazinecarbodi-thio-ate derivative, C 27 H 26 N 2 O 2 S 2 , the asymmetric unit is comprised of four mol-ecules ( Z = 8 and Z ' = 4). The 4-meth-oxy-phenyl rings are slightly twisted away from their attached olefinic double bonds [torsio...

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