Bis{<i>N</i>′-[3-(4-nitrophenyl)-1-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylcarbamimidothioato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study
نویسندگان
چکیده
The title zinc bis(thiosemicarbazone) complex, [Zn(C 22 H 17 N 4 O 2 S) ], comprises two , S -donor anions, leading to a distorted tetrahedral donor set. resultant five-membered chelate rings are nearly planar and form dihedral angle of 73.28 (3)°. configurations about the endocyclic- exocyclic-imine bonds Z E respectively, that ethylene bond is . major differences in conformations ligands seen angles between ring nitrobenzene [40.48 (6) cf 13.18 (4)°] -bound phenyl [43.23 (8) 22.64 (4)°]. In crystal, linear supramolecular chain along b -axis direction features amine-N—H...O(nitro) hydrogen bonding. chains assemble 1 -screw axis through combination phenyl-C—H...O(nitro) π(chelate ring)–π(phenyl) contacts. double linked into three-dimensional architecture nitro-O...π(phenyl) interactions.
منابع مشابه
Crystal structure of the chalcone (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
The title chalcone derivative, C13H10O2, adopts an E conformation about the C=C double bond. The mol-ecule is composed of a furanyl and a phenyl ring, bridged by an α,β-unsaturated carbonyl system, which are inclined to one another by 24.07 (7)°. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds involving the carbonyl O atom acting as a trifurcated acceptor and C-H⋯π inter-a...
متن کامل1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis
The title compound, C23H21N3O2, is constructed about an almost planar disubstituted amino-urea residue (r.m.s. deviation = 0.0201 Å), which features an intra-molecular amine-N-H⋯N(imine) hydrogen bond. In the 'all-trans' chain connecting this to the terminal meth-oxy-benzene residue, the conformation about each of the imine and ethyl-ene double bonds is E. In the crystal, amide-N-H⋯O(carbon-yl)...
متن کاملCrystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
In the title chalcone derivative, C16H11ClF2O2, the enone group adopts an E conformation. The dihedral angle between the benzene rings is 0.47 (9)° and an intra-molecular C-H⋯F hydrogen bond closes an S(6) ring. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds and aromatic π-π stacking inter-actions are also observed [centroid-centroid separation = ...
متن کامل3-{(E)-[4-(4-Hydroxy-3-methoxyphenyl)butan-2-ylidene]amino}-1-phenylurea: crystal structure and Hirshfeld surface analysis
Two independent mol-ecules (A and B) comprise the asymmetric unit of the title compound, C18H21N3O3. The urea moiety is disubstituted with one amine being linked to a phenyl ring, which is twisted out of the plane of the CN2O urea core [dihedral angles = 25.57 (11) (A) and 29.13 (10)° (B)]. The second amine is connected to an imine (E conformation), which is linked in turn to an ethane bridge t...
متن کاملZwitterionic 1-{(1E)-[(4-hydroxyphenyl)iminio]methyl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis
The title zwitterion, C17H13NO2 (systematic name: 1-{(1E)-[(4-hy-droxy-phen-yl)iminium-yl]meth-yl}naphthalen-2-olate), features an intra-molecular charge-assisted N+-H⋯O- hydrogen bond. A twist in the mol-ecule is evident around the N-C(hy-droxy-benzene) bond [C-N-C-C torsion angle = 39.42 (8)°] and is reflected in the dihedral angle of 39.42 (8)° formed between the aromatic regions of the mol-...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section E: Crystallographic Communications
سال: 2021
ISSN: ['2056-9890']
DOI: https://doi.org/10.1107/s2056989021007398