Madhukar Hemamalini
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View article: Monoclinic polymorph of 2-azaniumylmethyl-1 <i>H</i> -benzimidazol-3-ium dichloride monohydrate
Monoclinic polymorph of 2-azaniumylmethyl-1 <i>H</i> -benzimidazol-3-ium dichloride monohydrate Open
The title hydrated salt, C 8 H 11 N 3 2+ ·2Cl − ·H 2 O, is a monoclinic polymorph of the previously reported triclinic form. The compound crystallizes in space group P 2 1 / c with Z ′ = 1. The crystal structure features N—H...O, N—H...Cl …
View article: Corrigendum to “Synthesis of 3-Methoxy-6- [(2, 4, 6-trimethyl-phenylamino)-methyl]-phenol Schiff base characterized by spectral, in-silco and in-vitro studies” [Heliyon Volume 8, Issue 8, August 2022, Article e10070]
Corrigendum to “Synthesis of 3-Methoxy-6- [(2, 4, 6-trimethyl-phenylamino)-methyl]-phenol Schiff base characterized by spectral, in-silco and in-vitro studies” [Heliyon Volume 8, Issue 8, August 2022, Article e10070] Open
[This corrects the article DOI: 10.1016/j.heliyon.2022.e10070.].
View article: Smart Obstacle Detection System: An AI-IoT Powered Assistive System for the Visually Impaired
Smart Obstacle Detection System: An AI-IoT Powered Assistive System for the Visually Impaired Open
The millions of people who are visually challenged in the world almost invariably have to grapple with the three problems: navigating an environment, recognizing visual content, and social interaction. The use of traditional aids such as w…
View article: 6-Bromo-9,9-diethyl-<i>N</i>,<i>N</i>-diphenylfluoren-2-amine
6-Bromo-9,9-diethyl-<i>N</i>,<i>N</i>-diphenylfluoren-2-amine Open
In the title compound, C 29 H 26 BrN, the dihedral angles between the fluorene fused-ring system and the pendant phenyl groups are 67.76 (12) and 88.38 (12)°. In the crystal, weak pairwise C—H...π interactions link the molecules into inver…
View article: (1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine
(1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine Open
In the crystal of the title compound, C 12 H 17 N 3 , the molecules are linked by N—H...N hydrogen bonds, generating a C (4) chain extending along the c -axis direction. One of the ethyl groups is disordered over two sets of sites with a r…
View article: 1,4-Dimethylpiperazine-2,3-dione
1,4-Dimethylpiperazine-2,3-dione Open
In the title compound, C 6 H 10 N 2 O 2 , the piperazine-2,3-dione ring adopts a half-chair conformation. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, forming (010) sheets.
View article: 2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline
2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline Open
In the title compound, C 26 H 18 BrN, the central benzene ring makes dihedral angles with its adjacent anthracene ring system and pendant benzene ring of 87.49 (13) and 62.01 (17)°, respectively. The N—H moiety is sterically blocked from f…
View article: 10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine
10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine Open
In the title compound, C 26 H 18 BrN, the dihedral angles between the anthracene ring system and the phenyl rings are 89.51 (14) and 74.03 (15)°. In the extended structure, a weak C—H...Br interaction occurs, which generates [100] chains, …
View article: A novel Cadmium metal-organic framework with exceptional nonlinear optical properties: Unveiling anisotropic charge transport and optical limiting behavior
A novel Cadmium metal-organic framework with exceptional nonlinear optical properties: Unveiling anisotropic charge transport and optical limiting behavior Open
A novel non-centrosymmetric Cadmium Metal-Organic Framework (Cd-MOF) crystal with chemical formula CdC8N8H14O2S4 was synthesized and characterized. The band structure and optical limiting properties of the Cd-MOF were investigated using Ba…
View article: CCDC 2294939: Experimental Crystal Structure Determination
CCDC 2294939: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: 4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate
4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate Open
In the title hydrated salt, C 5 H 5 Cl 2 N 2 + ·C 6 H 4 NO 3 − ·H 2 O, the pyridine N atom of the cation is protonated and an intramolecular O—H...O hydrogen bond is observed in the anion, which generates an S (6) ring. The crystal packing…
View article: CCDC 2290063: Experimental Crystal Structure Determination
CCDC 2290063: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: (2,4-Dichlorobenzylidene)[2-(1<i>H</i>-indol-3-yl)ethyl]amine
(2,4-Dichlorobenzylidene)[2-(1<i>H</i>-indol-3-yl)ethyl]amine Open
In the title compound, C 17 H 14 Cl 2 N 2 , the molecule exists in an E configuration with respect to the C=N bond of the Schiff base fragment. The dihedral angle between the indole ring system and the benzene ring is 80.86 (12)°. In the c…
View article: CCDC 2128272: Experimental Crystal Structure Determination
CCDC 2128272: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2128271: Experimental Crystal Structure Determination
CCDC 2128271: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2145614: Experimental Crystal Structure Determination
CCDC 2145614: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves
In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves Open
Introduction: Bioactive molecules from natural sources having contraceptive properties were excellent alternatives for modern hormonal contraceptives. Researchers around the world were working on identifying contraceptive leads targeting t…
View article: Crystal structure, in silico molecular docking, DFT analysis and ADMET studies of N-(2-methoxy-benzyl)-acetamide
Crystal structure, in silico molecular docking, DFT analysis and ADMET studies of N-(2-methoxy-benzyl)-acetamide Open
In this work, N-(2-methoxy-benzyl)-acetamide (2MBA) was synthesized from an amide derivative and it was characterized by FT-IR and NMR spectroscopy techniques. The crystal structure of 2MBA was also validated via single-crystal X-ray diffr…
View article: CCDC 2109553: Experimental Crystal Structure Determination
CCDC 2109553: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: 2,6-Diamino-4-chloropyrimidine–succinic acid (2/1)
2,6-Diamino-4-chloropyrimidine–succinic acid (2/1) Open
In the title 2:1 co-crystal, 2C 4 H 5 ClN 4 ·C 4 H 6 O 4 the complete succinic acid molecule is generated by a crystallographic centre of symmetry. In the crystal, pairwise O—H...N and N—H...O hydrogen bonds link the pyrimidine and succini…