Results 21 to 30 of about 1,805 (226)

Ethyl 4-anilino-3-nitrobenzoate [PDF]

Acta Crystallographica Section E Structure Reports Online, 2008
In the title compound, C(15)H(14)N(2)O(4), the aromatic rings are oriented at a dihedral angle of 78.33 (3)°. An intra-molecular N-H⋯O hydrogen bond results in a non-planar six-membered ring with a flattened-boat conformation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules.
Hao-Yuan Li, Bo-Nian Liu, Shi-Gui Tang, Cheng Guo   +3 more
openaire   +3 more sources

Synthesis and structure characterization of [Co(H2O)2(DMSO)2(4-nba)]4-nba (DMSO = dimethylsulfoxide; 4-nba = 4-nitrobenzoate) [PDF]

, 2020
51-56Dissolution of a fine powder obtained by mechanochemical grinding of cobaltous carbonate with 4-nitrobenzoic acid (4-nbaH) in hot dimethylsulfoxide (DMSO) followed by slow evaporation of the solvent resulted in the formation of cis-diaquabis ...
Narvekar, Kedar U, Parsekar, Neha U, Srinivasan, Bikshandarkoil R, Tari, Sonal P   +3 more
core   +3 more sources

Merging Biocatalysis and Chemocatalysis in Flow: State‐of‐the‐Art and Future Directions for Sustainable Synthesis

Angewandte Chemie International Edition, EarlyView.
This review highlights recent advances in integrating biocatalysis and chemocatalysis in continuous flow to create streamlined, sustainable processes. It examines chemo‐enzymatic cascades combining at least one enzymatic and one chemical step, discusses challenges such as enzyme immobilization, leaching, and reactor clogging, and presents solutions ...
Petros Siasiaridis, Matteo Damian, Francesco G. Mutti   +2 more
wiley   +1 more source

Stereoselective Higher‐Order [10+4]‐ and [10+6] Cycloadditions Between Two Highly Unsaturated and Ambiphilic π‐Addends

Chemistry – A European Journal, EarlyView.
Aminocatalytically generated isobenzofulvenes and 3‐oxidopyridinium betaines act as ambiphilic reaction partners in orbital‐symmetry‐allowed [10+4] cycloadditions or formally symmetry‐forbidden concerted thermal [10+6] cycloadditions. The reaction furnishes three cycloadducts: one [10+4] cycloadduct and two regioisomeric [10+6] cycloadducts.
Jonas Faghtmann, Anne Kristensen, Fabien Fritz, Signe Sofie Pladsbjerg Andresen, Anne Rask Østergaard, Johannes Nygaard Lamhauge, K. N. Houk, Karl Anker Jørgensen   +7 more
wiley   +1 more source

Methyl 3-nitrobenzoate

Acta Crystallographica Section E Structure Reports Online, 2005
In the title mol­ecule, C8H7NO4, the non-H atoms are essentially coplanar. In the crystal structure, short inter­molecular O⋯C (3.21 A) and O⋯N (3.17 A) contacts indicate the presence of π–π inter­actions.
Long-Fei Jin, Feng-Ping Xiao
openaire   +1 more source

The X‐Ray Crystal Structure of BorF, the Flavin Reductase Subunit of a Two‐Component Flavin‐Dependent Tryptophan Halogenase

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT BorF is a short‐chain flavin reductase from a desert soil bacterium that uses NADH to reduce FAD to FADH2, which is used by the tryptophan‐6‐halogenase BorH to chlorinate tryptophan in the biosynthetic pathway of borregomycin A. The X‐ray crystal structure of BorF bound to FAD was solved to 2.37 Å by molecular replacement.
Zheng Ma, Emily W. Rady, Aravinda J. de Silva, John J. Bellizzi III   +3 more
wiley   +1 more source

Bioinspired Synthesis of Twin abeo‐Steroids Bufogargarizins A and B via a Divergent Intramolecular Aldol Addition Reaction

Angewandte Chemie, Volume 138, Issue 2, 9 January 2026.
Twin natural products. This manuscript describes a concise biomimetic synthesis of twin abeo‐steroids bufogargarizins A and B with an unusual [7.5.6.5] and [5.7.6.5] skeletons in 19 steps (LLS). The described synthetic approach features the application of a bioinspired regiodivergent intramolecular aldol addition reaction and a selective singlet oxygen‐
Zoey J. Surma, Volodymyr Hiiuk, Eugene Zviagin, Yaxin Ouyang, Alex Chacko, Fengrui Qu, Paul M. Zimmerman, Pavel Nagorny   +7 more
wiley   +2 more sources

3,4-Diaminopyridinium 4-nitrobenzoate–4-nitrobenzoic acid (1/1)

Acta Crystallographica Section E, 2009
In the title compound, C5H8N3+·C7H4NO4−·C7H5NO4, the non-H atoms of the 3,4-diaminopyridinium cation are coplanar, with a maximum deviation of 0.022 (1) Å. The carboxylate and nitro groups of the 4-nitrobenzoate anion are twisted out of the attached ring planes by dihedral angles of 15.89& ...
Hoong-Kun Fun, Kasthuri Balasubramani
openaire   +2 more sources

Mean weighted residuals reveal systematic overestimation of Bragg intensities in single‐crystal diffraction

Journal of Applied Crystallography, EarlyView.
Analysis of more than 8000 published data sets demonstrates that systematic overestimation of observed intensities can deceptively improve common agreement factors and atomic displacement parameters, masking underlying deficiencies in data quality.The mean value of weighted residuals (⟨ζ⟩) was analysed for 8424 published single‐crystal X‐ray data sets ...
Julian Henn, Piero Macchi, Toms Rekis
wiley   +1 more source

Structural characterization of catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] [PDF]

, 2021
An attempted incorporation of N-donor ligand in the coordination sphere of Ca in the molecular solid [Ca(H2O)4(4-nba)2] (4-nba=4-nitrobenzoate) resulted in the formation of the one-dimensional (1D) coordination polymers catena-[bis(μ-4-nitrobenzoato ...
Srinivasan, Bikshandarkoil R
core   +1 more source