Crystal structure of (E)-3-({6-[2-(4-chlorophenyl)-ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)-pyridin-1-ium chloride dihydrate

被引：2

作者：

Daoui, Said ^{[1
]}

Cinar, Emine Berrin ^{[2
]}

Dege, Necmi ^{[2
]}

Benchat, Noureddine ^{[1
]}

Saif, Eiad ^{[3
]}

Karrouchi, Khalid ^{[4
]}

机构：

[1] Mohamed I Univ, Fac Sci, Lab Appl Chem & Environm LCAE, Oujda 60000, Morocco

[2] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55200 Samsun, Turkey

[3] Sanaa Community Coll, Dept Comp & Elect Engn, Sanaa, Yemen

[4] Mohammed V Univ Rabat, Fac Med & Pharm, Lab Analyt Chem & Bromatol, Rabat, Morocco

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2022年 / 78卷

关键词：

crystal structure; pyridazine; pyridazinone derivative; hydrogen bonding; Hirshfeld surfaces; PYRIDAZINE; MILD;

D O I：

10.1107/S2056989022003346

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C18H15ClN3O+center dot Cl-center dot 2H(2)O, three intramolecular hydrogen bonds are observed, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O. In the crystal, molecules are connected by C-H center dot center dot center dot Cl and N-H center dot center dot center dot O hydrogen bonds. Strong C-H center dot center dot center dot Cl, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O hydrogen-bonding interactions are implied by the Hirshfeld surface analysis, which indicate that H center dot center dot center dot H contacts make the largest contribution to the overall crystal packing at 33.0%.

引用

页码：458 / +

页数：10

共 28 条

[1] 5-(2-chlorobenzyl)-2-(2-hydroxyethyl)-6-methylpyridazin-3(2H)-one [J].

Abourichaa, S ;

Benchat, N ;

Anaflous, A ;

Melhaoui, A ;

Ben-Hadda, T ;

Oussaid, B ;

Mimouni, M ;

El Bali, B ;

Bolte, M .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2003, 59 :O1041-O1042

[2] Synthesis of 1,2,4-triazolopyridazines, isoxazolofuropyridazines, and tetrazolopyridazines as antimicrobial agents [J].

Abu-Hashem, Ameen A. ;

Fathy, Usama ;

Gouda, Moustafa A. .

JOURNAL OF HETEROCYCLIC CHEMISTRY, 2020, 57 (09) :3461-3474

[3] A Plug-and-Play Platform for the Formation of Trifunctional Cysteine Bioconjugates that also Offers Control over Thiol Cleavability [J].

Bahou, Calise ;

Szijj, Peter A. ;

Spears, Richard J. ;

Wall, Archie ;

Javaid, Faiza ;

Sattikar, Afrah ;

Love, Elizabeth A. ;

Baker, James R. ;

Chudasama, Vijay .

BIOCONJUGATE CHEMISTRY, 2021, 32 (04) :672-679

[4] Crystal structure of ethyl 2-{4-(5-chlorol-benzofuran-2-yl)methyl]-3-methyl-6- oxo-1,6-dihydropyridazin-l-y}acetate [J].

Boukharsa, Youness ;

El Amman, Lahcen ;

Taoufik, Jamal ;

Saadi, Mohamed ;

Ansar, M'hammed .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 :O291-U311

[5] Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(E)-2-phenylethenyl]pyridazin-3(2H)-one [J].

Daoui, Said ;

Cinar, Emine Berrin ;

Dege, Necmi ;

Chelfi, Tarik ;

El Kalai, Fouad ;

Abudunia, Abdulmalik ;

Karrouchi, Khalid ;

Benchat, Noureddine .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 :23-+

[6] Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one [J].

Daoui, Said ;

Baydere, Cemile ;

El Kalai, Fouad ;

Saddik, Rafik ;

Dege, Necmi ;

Karrouchi, Khalid ;

Benchat, Noureddine .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 :1734-+

[7] OLEX2: a complete structure solution, refinement and analysis program [J].

Dolomanov, Oleg V. ;

Bourhis, Luc J. ;

Gildea, Richard J. ;

Howard, Judith A. K. ;

Puschmann, Horst .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2009, 42 :339-341

[8] WinGX and ORTEP for Windows: an update [J].

Farrugia, Louis J. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854

[9] The Cambridge Structural Database [J].

Groom, Colin R. ;

Bruno, Ian J. ;

Lightfoot, Matthew P. ;

Ward, Suzanna C. .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2016, 72 :171-179

[10]

Kang YJ, 2002, SYNTHESIS-STUTTGART, P733

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