Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions

CrystEngComm ◽  
2014 ◽  
Vol 16 (9) ◽  
pp. 1741 ◽  
Author(s):  
Yuki Tanaka ◽  
Hideyuki Tabata ◽  
Nobuo Tajima ◽  
Reiko Kuroda ◽  
Yoshitane Imai
Keyword(s):  
Crystal Structures ◽  
Supramolecular Systems ◽  
Two Component

scholarly journals Crystal Structures of the Receiver Domain of the Response Regulator PhoP from Escherichia coli in the Absence and Presence of the Phosphoryl Analog Beryllofluoride

2007 ◽  
Vol 189 (16) ◽  
pp. 5987-5995 ◽  
Author(s):  
Priti Bachhawat ◽  
Ann M. Stock
Keyword(s):  
Escherichia Coli ◽  
Crystal Structures ◽  
Response Regulator ◽  
Active State ◽  
Two Component System ◽  
Component System ◽  
Regulatory Domains ◽  
Receiver Domain ◽  
Two Component ◽  
High Concentrations

ABSTRACT The response regulator PhoP is part of the PhoQ/PhoP two-component system involved in responses to depletion of extracellular Mg2+. Here, we report the crystal structures of the receiver domain of Escherichia coli PhoP determined in the absence and presence of the phosphoryl analog beryllofluoride. In the presence of beryllofluoride, the active receiver domain forms a twofold symmetric dimer similar to that seen in structures of other regulatory domains from the OmpR/PhoB family, providing further evidence that members of this family utilize a common mode of dimerization in the active state. In the absence of activating agents, the PhoP receiver domain crystallizes with a similar structure, consistent with the previous observation that high concentrations can promote an active state of PhoP independent of phosphorylation.

scholarly journals Crystal structures of 6-chloroindan-1-one and 6-bromoindan-1-one exhibit different intermolecular packing interactions

2016 ◽  
Vol 72 (11) ◽  
pp. 1536-1540
Author(s):  
Alessio Caruso ◽  
Benjamin Blair ◽  
Joseph M. Tanski
Keyword(s):  
Molecular Structure ◽  
Crystal Structures ◽  
Face To Face ◽  
Bromo Derivative ◽  
Π Stacking ◽  
Two Component ◽  
Compound Ii ◽  
Packing Interactions

The two title compounds are analogs of 1-indanone that are substituted at the 6-position with chlorine and bromine. Although very similar in molecular structure, the crystal structures are not isomorphous and reveal that 6-chloroindan-1-one, C9H7ClO (I), and 6-bromoindan-1-one, C9H7BrO (II), exhibit unique intermolecular packing motifs. The molecules of the chloro analog (I) pack with a herringbone packing motif of C—H...O interactions, whereas the bromo derivative (II) packs with offset face-to-face π-stacking, C—H...O, C—H...Br and Br...O interactions. Compound (II) was refined as a two-component non-merohedral twin, BASF 0.0762 (5).

scholarly journals From Frustrated Packing to Tecton-Driven Porous Molecular Solids

Chemistry ◽  
2020 ◽  
Vol 2 (1) ◽  
pp. 179-192 ◽  
Author(s):  
Chamara A. Gunawardana ◽  
Abhijeet S. Sinha ◽  
Eric W. Reinheimer ◽  
Christer B. Aakeröy
Keyword(s):  
Porous Materials ◽  
Crystal Structures ◽  
Free Volume ◽  
Molecular Solids ◽  
One Dimensional ◽  
Two Component ◽  
Forming Characteristics

Structurally divergent molecules containing bulky substituents tend to produce porous materials via frustrated packing. Two rigid tetrahedral cores, tetraphenylmethane and 1,3,5,7-tetraphenyladamantane, grafted peripherally with four (trimethylsilyl)ethynyl moieties, were found to have only isolated voids in their crystal structures. Hence, they were modified into tecton-like entities, tetrakis(4-(iodoethynyl)phenyl)methane [I4TEPM] and 1,3,5,7-tetrakis(4-(iodoethynyl)phenyl)adamantane [I4TEPA], in order to deliberately use the motif-forming characteristics of iodoethynyl units to enhance crystal porosity. I4TEPM not only holds increased free volume compared to its precursor, but also forms one-dimensional channels. Furthermore, it readily co-crystallizes with Lewis basic solvents to afford two-component porous crystals.

scholarly journals Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate

2018 ◽  
Vol 74 (3) ◽  
pp. 345-348
Author(s):  
Wayland E. Noland ◽  
Ryan J. Herzig ◽  
Abigail J. Engwall ◽  
Renee C. Jensen ◽  
Kenneth J. Tritch
Keyword(s):  
Crystal Structures ◽  
Triple Bond ◽  
Two Dimensional ◽  
Two Component

The title crystals, C9H5Br2NO2, are the first reported 2,6-dihalophenyl cyanide–isocyanide pair that have neither three- nor two-dimensional isomorphism. Both crystals contain contacts between the carbonyl O atom and a Br atom. In the crystal of the cyanide,R22(10) inversion dimers form based on C[triple-bond]N...Br contacts, a common packing feature in this series of crystals. In the isocyanide, the corresponding N[triple-bond]C...Br contacts are not observed. Instead, the isocyano C atom forms contacts with the methoxy C atom. RNC was refined as a two-component pseudo-merohedral twin.

scholarly journals Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their P-ferrocenyl analogues

2018 ◽  
Vol 74 (2) ◽  
pp. 212-216 ◽  
Author(s):  
Witold Przychodzeń ◽  
Jarosław Chojnacki
Keyword(s):  
Crystal Structures ◽  
Structural Parameters ◽  
Two Component

Two new crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes, namely 2,5-bis(4-methoxyphenyl)-1,6,3,4,2λ5,5λ5-dioxadithiadiphosphocane-2,5-dithione, C16H18O4P2S4, and 2,5-bis(4-methoxyphenyl)-1,6,3,4,2λ5,5λ5-dioxadithiadiphosphecane-2,5-dithione, C18H22O4P2S4, have been determined and compared to structures of the ferrocenyl analogues. The eight-membered rings have similar conformations (TBC) but the ten-membered macrocycles are differently puckered. Structural parameters of the relevant SPSSPS motif have been analysed and are discussed in detail. Compound 1 was refined as an inversion twin and 2 was refined as a two-component rotational twin.

scholarly journals Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1H-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1H-isochromen-1-one chloroform monosolvate

2020 ◽  
Vol 76 (7) ◽  
pp. 1107-1112
Author(s):  
Mustapha Tiouabi ◽  
Raphaël Tabacchi ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Hirshfeld Surface ◽  
Supramolecular Framework ◽  
Chlorine Atoms ◽  
Axis Direction ◽  
Π Interactions ◽  
Methoxy Groups ◽  
Two Component

In the molecule of 6,8-dimethoxy-3-methyl-1H-isochromen-1-one, C12H12O4, (I), the two methoxy groups are directed anti with respect to each other. In the molecule of the brominated derivative, 5-bromo-6,8-dimethoxy-3-methyl-1H-isochromen-1-one, that crystallized as a chloroform monosolvate, C12H11BrO4·CHCl3, (II·CHCl3 ), the methoxy groups are directed syn to each other. In the crystal of I, molecules are linked by bifurcated C—H...O hydrogen bonds, forming chains along the c-axis direction. The chains are linked by C—H...π interactions, forming a supramolecular framework. In the crystal of II·CHCl3 , molecules are linked by C—H...O hydrogen bonds forming 21 helices parallel to the b-axis direction. The chloroform solvate molecules are linked to the helices by C—H...O(carbonyl) hydrogen bonds. The helices stack up the c-axis direction and are linked by offset π–π interactions [intercentroid distance = 3.517 (3) Å], forming layers parallel to the (100) plane. Compound II·CHCl3 was refined as a two-component twin. Two chlorine atoms of the chloroform solvate are disordered over two positions and were refined with a fixed occupancy ratio of 0.5:0.5.

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