Crystal growth, structural and DFT study of novel single crystal (E)-N'-(2-chlorobenzylidene)-4-fluorobenzohydrazide for nonlinear optical applications

P Sangeetha, D Barathi, M Uthayakumar… - Optical Materials, 2023 - Elsevier
Abstract Nonlinear optical (NLO) material,(E)-N'-(2-chlorobenzylidene)-4-
fluorobenzohydrazide (CBBH) novel single crystal was grown via a Schiff base chemical …

[HTML][HTML] Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate

AN Khalilov, VN Khrustalev, TA Tereshina… - Structure …, 2022 - journals.iucr.org
The title compound, 2C16H27NO· H2O, crystallizes in the monoclinic P21/c space group
with two independent molecules (A and B) in the asymmetric unit. In the crystal, molecules A …

Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1, 4, 5, 6-tetrahydropyridine-3-carbonitrile

IG Mamedov, VN Khrustalev, M Akkurt… - Structure …, 2022 - journals.iucr.org
The crystal structure of the title compound, C20H16BrN3O2, was determined using an
inversion twin. Its asymmetric unit comprises two crystallographically independent …

Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl [(thiophen-2-yl) methyl] amino} but-2-enoic acid

AG Podrezova, EV Nikitina, MS Grigoriev… - Structure …, 2024 - journals.iucr.org
In the title compound, C15H13NO3S, the molecular conformation is stable with the
intramolecular O—H⋯ O hydrogen bond forming a S (7) ring motif. In the crystal, molecules …

[HTML][HTML] Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluorophenyl)-1, 2, 3, 4-tetrahydroquinolin-4-yl] pyrrolidin-2-one

AA Pronina, AG Podrezova, MS Grigoriev… - Structure …, 2024 - journals.iucr.org
In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope
conformation. In the crystal, molecules are linked by intermolecular N—H⋯ O, C—H⋯ O, C …

Crystal structure and Hirshfeld surface analysis of N-[2-(5-methylfuran-2-yl) phenyl]-3-nitro-N-[(3-nitrophenyl) sulfonyl] benzenesulfonamide

GZ Mammadova, S Annadurdyyeva, GM Burkin… - Structure …, 2023 - journals.iucr.org
In the title compound, C23H17N3O9S2, C—H⋯ O hydrogen bonds link adjacent molecules
in a three-dimensional network, while π–π stacking interactions, with centroid–centroid …

[HTML][HTML] Crystal structures and Hirshfeld surface analyses of N, N-dimethylacetamide–1-(dimethyl-λ4-azanylidene) ethan-1-ol tribromide (1/1), N, N-dimethylacetamide …

GZ Mammadova, DF Mertsalov, DM Shchevnikov… - Structure …, 2023 - journals.iucr.org
In the title compounds, N, N-dimethylacetamide–1-(dimethyl-λ4-azanylidene) ethan-1-ol
tribromide (1/1), C4H9NO· C4H10NO+· Br3− or [(C4H9NO)·(C4H10NO)](Br3),(I), N, N …

4-(3-Methoxyphenyl)-5-(2-thienylmethyl)-2, 4-dihydro-3H-1, 2, 4-triazole-3-selone: Synthesis, structural characteristics and reactions

VK Osmanov, RK Askerov, EV Chipinsky… - Journal of Molecular …, 2021 - Elsevier
Abstract The title compound 4-(3-methoxyphenyl)-3-(2-thienylmethyl)-4, 5-dihydro-3H-1, 2, 4-
triazole-3-selone 2 was synthesized by two-step procedure including condensation of 1 …

Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C14H19N3O2

WZ Li, LH Xu, CB Liang, HB Wang - Zeitschrift für Kristallographie …, 2024 - degruyter.com
Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide,
C14H19N3O2 Skip to content Should you have institutional access? Here's how to get it …

Crystal structure and Hirshfeld surface analysis of (22RS, 23SR, 25RS, 26SR)-23, 25, 5-trimethyl-21-(2, 2, 2-trifluoroacetyl)-5-aza-2 (2, 6)-piperidina-1, 3 (2, 5) …

SÖ Yıldırım, M Akkurt, AA Ershova, MS Grigoriev… - Structure …, 2023 - journals.iucr.org
The title compound, C20H21F3N2O4, features a main twelve-membered difuryl ring with
which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)°. The dihedral angle …