Crystal structure of (E)-N′-(5-bromo-2-hy­droxy­benzyl­idene)nicotinohydrazide monohydrate

The title compound, has an E conformation about the C=N bond and the mol­ecules is planar (r.m.s. deviation for all non-H atoms = 0.021 Å). In the crystal, the lattice water mol­ecule (Ow) links the mol­ecules via Ow—H⋯O, Ow—H⋯N and N—H⋯Ow hydrogen bonds, forming sheets lying parallel to (100).

Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1^3,8]do­decane (TATD)–4-chloro-3,5-di­methyl­phenol (1/1)

In the crystal of the title co-crystalline adduct, the 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.1^3,8]dodecane (TATD) and 4-chloro-3,5-di­methyl­phenol are linked by inter­molecular O—H⋯N hydrogen bonds and C—H⋯π inter­actions.

Crystal structure of methyl (S)-2-{(R)-4-[(tert-but­oxy­carbon­yl)amino]-3-oxo-1,2-thia­zolidin-2-yl}-3-methyl­butano­ate: a chemical model for oxidized protein tyrosine phosphatase 1B (PTP1B)

The title compound crystallized with two independent mol­ecules (A and B) in the asymmetric unit. In the crystal, separate chains of A and B mol­ecules, propagating along the b-axis direction, are formed via N—H⋯O, C—H⋯S and C—H⋯O hydrogen bonds

Crystal structures of 4-chloro­phenyl N-(3,5-di­nitro­phen­yl)carbamate and phenyl N-(3,5-di­nitro­phen­yl)carbamate

In the title compounds, the planes of the two aromatic rings are inclined to one another by 7.60 (8) and76.19 (8)°. In the crystals of both compounds, mol­ecules are linked via N—H⋯O hydrogen bonds, forming chains along [010].

Crystal structure of tetra­methyl­tetra­thia­fulvalenium (1S)-camphor-10-sulfonate dihydrate

In this salt, two types of TMTTF units are present as TMTTF^.+ radical cations which form one-dimensional stacks in which they are associated two by two, forming dimers with short S⋯S contacts. The S-camphSO₃ anions also form stacks and are connected with each other via O—H⋯O hydrogen bonds. The columns of cations and anions are connected through C—H⋯O hydrogen bonds.

Different hydrogen-bonded chains in the crystal structures of three alkyl N-[(E)-1-(2-benzyl­idene-1-methyl­hydrazin­yl)-3-hy­droxy-1-oxopropan-2-yl]carbamates

Three closely related methyl­ated hydrazine carbamates show different hydrogen-bonding patterns, although they all result in chains.

Crystal structure of N,N-di­methyl-2-[(4-methyl­benz­yl)sulfon­yl]ethanamine

The title compound has a disordered structure with two equally populated conformations of the amine fragment. A pair of weak C—H⋯O inter­molecular inter­actions between the CH₂ and SO₂ groups gives a one-dimensional supra­molecular structure running along the a-axis direction.

Crystal structure of Sc_1.91In_1.39Mo₁₅Se₁₉, containing Mo₆ and Mo₉ clusters

The crystal structure of the title compound consists of an equal mixture of the cluster units Mo₆Seⁱ₈Se^a₆ and Mo₉Seⁱ₁₁Se^a₆ separated by deficient In⁺ and Sc³⁺ cations.

Crystal structure of 3-(thio­phen-2-yl)-5-p-tolyl-4,5-di­hydro-1H-pyrazole-1-carbo­thio­amide

In the title compound, the central pyrazole ring adopts a twisted conformation on the –CH—CH₂– bond and its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)° with the attached thio­phene and toluene rings, respectively. In the crystal, mol­ecules are linked by N—H⋯S hydrogen bonds, forming chains propagating along [010].

Crystal structures of two 6-(2-hy­droxy­benzo­yl)-5H-thia­zolo[3,2-a]pyrimidin-5-ones

The title fused heterocycles arose from an unexpected intra­molecular cyclization reaction. Each mol­ecule features an intra­molecular O—H⋯O hydrogen bond. In the crystal, chains mediated by C—H⋯O inter­actions arise.

Crystal structure of a mono-bridged calix[4]arene

The structure of the title compound, consists of a tert-butyl­calix[4]arene with a five-carbon bridge connecting two proximal phenolic O atoms, and with a bromo­pent­oxy chain on one of the remaining phenolic O atoms.

Crystal structure of high-spin tetra­aqua­bis­(2-chloro­pyrazine-κN⁴)iron(II) bis­(4-methyl­benzene­sulfonate)

Between the tosyl­ate anions and the octa­hedral complex cations consisting of Fe^II, four aqua and two N-bound 2-chloro­pyrazine ligands, weak O—H⋯O as well as π–π inter­actions play important roles in the mol­ecular self-assembly, resulting in the formation of a three-dimensional structure.

Crystal structure of trans-(1,8-di­butyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ⁴N³,N⁶,N¹⁰,N¹³)bis­(thio­cyanato-κN)nickel(II) from synchrotron data

The Ni^II atom in the title compound, bonded to four N atoms of the aza­macrocylic ligand and two N atoms of the thio­cyanate ions, shows a slightly distorted octa­hedral coordination geometry. In the crystal, mol­ecules are connected by hydrogen bonds, forming chains along the b-axis direction.

Crystal structure of 1,10-phenanthrolinium 3-hy­droxy-2,4,6-tri­nitro­phenolate

The 1,10-phenanthrolinium cation and 3-hy­droxy-2,4,6-tri­nitro­phenolate anion are held together through an N—H⋯O hydrogen bond. In the crystal, cation–anion pairs are connected by C—H⋯O hydrogen bonds, forming a chain structure along [101]. Spectroscopic data also support the formation of a mol­ecular salt. Sensitivity tests and thermal testing indicate that it is an insensitive high energy density material (IHEDM).

Double salt crystal structure of nona­sodium di­hydrogen nona­vanadoplatinate(IV) tri­hydrogen nona­vanadoplatinate(IV) tetra­contahydrate: stepwise-protonated nona­vanadoplatinate(IV)

Nonavanadoplatinate [Pt^IVV₉O₂₈]⁷⁻, which is the first heteropolyoxovanadate in the deca­vanadate framework, [V₁₀O₂₈]⁶⁻, has been investigated crystallographically. The title compound, Na₉[H₂Pt^IVV₉O₂₈][H₃Pt^IVV₉O₂₈]·40H₂O, was obtained by a hydro­thermal reaction at pH = 2 and contains two different protonated heteropolyoxovanadates.

Crystal structure of a mixed-ligand dinuclear Ba—Zn complex with 2-meth­oxy­ethanol having tri­phenyl­acetate and chloride bridges

In a new Ba–Zn dimeric coordination complex which has 2-meth­oxy­ethanol as well as tri­phenyl­acetate and chlorido ligands, the BaO₈Cl and ZnO₂Cl₂ complex centres are separated by 3.9335 (1) Å and are connected through two carboxyl O,O¹ bridges and one bridging chloride anion.

Crystal structure of (E)-N-{2-[2-(2-chloro­benzyl­idene)hydrazin-1-yl]-2-oxoeth­yl}-4-methyl­benzamide monohydrate

The title compound is twisted in such a way that the almost planar [C_ar—C(=O)—N(H)—C(H₂] and [C(H₂)—C(=O)N(H)—N=C(H)—C_ar] segments are inclined to on another by 77.36 (8)°, while the benzene rings are inclined to one another by 89.69 (9)°. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers which are linked by O—H⋯O hydrogen bonds, involving the crystal water mol­ecule, forming chains propagating along the a-axis direction.

Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction

High-precision structural parameters for Na₂MoO₄·2D₂O and Na₂WO₄·2D₂O are reported based on refinement of high-resolution time-of-flight neutron powder diffraction data. Complementary Raman spectra are also provided.

`Pd₂₀Sn₁₃' revisited: crystal structure of Pd_6.69Sn_4.31

The crystal structure of the title compound, previously reported as `Pd₂₀Sn₁₃' on basis of powder X-ray data, was redetermined on basis of single-crystal X-ray data, resulting in a model with higher precision and accuracy.

Crystal structure of metronidazolium tetra­chlorido­aurate(III)

Metronidazole (MET) reacts with HAuCl₄·H₂O to give metronidazolium tetra­chlorido­aurate(III), [H(MET)][AuCl₄], in which the cation and anion are linked via an O—H⋯Cl hydrogen-bonding inter­action.

Crystal structure of alluaudite-type NaMg₃(HPO₄)₂(PO₄)

NaMg₃(PO₄)(HPO₄)₂ crystallizes in the alluaudite-type structure. Two types of [MgO₆] octa­hedra, one [NaO₁₀] polyhedron, one orthophosphate and one hydrogenphosphate tetra­hedron form the structural set-up.

Crystal structure of 4,4′-diethynylbiphen­yl

4,4′-Diethynylbiphenyl crystallizes with four unique mol­ecules in the asymmetric unit. The crystal structure is stabilized by weak C—H⋯π(ring) and C C—H⋯π(alkyne) contacts.

Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

The di­hydro­pyrimidine ring in the title ester adopts a flattened envelope conformation. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring. Mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers.

Crystal structure of 2-(4-tert-butyl­phen­yl)-3-hy­droxy-4H-chromen-4-one

The title compound is relatively planar with the benzene ring being only slightly twisted with respect to the mean plane of the 4H-chromene-4-one moiety (r.m.s. deviation = 0.0191 Å) by 10.53 (8)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers with an (10) ring motif.

Crystal structures of two triazola-dioxola-benzena­cyclo­nona­phanes

Two dioxala-benzena­cyclo­nona­phanes differ principally by the presence of a pyrrolizine ring system in one and a pyrrolo­thia­zole ring system in the other. In the crystal of the former, mol­ecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming sheets parallel to (10) while in the latter, mol­ecules are linked via C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds, forming slabs parallel to (001).

Crystal structure of a new homochiral one-dimensional zincophosphate containing L-me­thio­nine

[Zn(HPO₄)(L-met)]_n is a rare example of a one-dimensional zincophosphate compound with a homochiral structure. Ladder-like chains of alternating ZnO₄ and (HO)PO₃ tetra­hedra are bedecked on each side by zwitterionic L-me­thio­nine ligands, which inter­act with the inorganic framework via Zn—O coordination bonds.

Crystal structure of bis­(N-methyl-N-phenyl­amino)­tris­ulfane

The title compound was obtained in crystalline form after preparative HPLC. Conformation of the proposed mol­ecular structure was obtained by single-crystal X-ray analysis at 173 K. The mol­ecules do not take advantage of the twofold axis provided as an available symmetry option by the Fdd2 space group. Instead, there are two mol­ecules in the asymmetric unit, and both of them display a pseudo-trans conformation.

Crystal structure of 5-amino-4H-1,2,4-triazol-1-ium pyrazine-2-carboxyl­ate: an unexpected salt arising from the deca­rboxylation of both precursors

The salt 3-amino-2H,4H-1,2,4-triazolium pyrazine-2-carboxyl­ate was isolated by reacting 5-amino-1H-1,2,4-triazole-3-carb­oxy­lic acid and pyrazine-2,3-di­carb­oxy­lic acid in the presence of silver nitrate and 1-butyl-3-methyl­imidazolium bromide in ionothermal conditions.

Crystal structure of cis-2-(2-carb­oxy­cyclo­prop­yl)glycine (CCG-III) monohydrate

The title compound is an example of a `false conglomerate' with two mol­ecules of opposite handedness in the asymmetric unit. Each mol­ecule exists as a zwitterion, with proton transfer from the amino acid carb­oxy­lic acid group to the amine group. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds, generating (100) sheets.

Crystal structure of ortho­rhom­bic {bis­[(pyridin-2-yl)meth­yl](3,5,5,5-tetra­chloro­pent­yl)amine-κ³N,N′,N′′}chlorido­copper(II) perchlorate

In the crystal, weak Cu⋯Cl inter­actions between symmetry-related mol­ecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

Crystal structures of 4-chloro­pyridine-2-carbo­nitrile and 6-chloro­pyridine-2-carbo­nitrile exhibit different inter­molecular π-stacking, C—H⋯N_nitrile and C—H⋯N_pyridine inter­actions

The crystal structures of two chloro­cyano­pyridines, namely 4-chloro­pyridine-2-carbo­nitrile and 6-chloro­pyridine-2-carbo­nitrile, exhibit unique inter­molecular C—H⋯N_nitrile, C—H⋯N_pyridine and offset face-to-face π-stacking inter­actions.

Crystal structure of 6-bromo-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde

In the crystal of this brominated and fluorinated 3-formyl­chromone derivative, mol­ecules are linked through stacking inter­actions, C—H⋯O hydrogen bonds and short C⋯O contacts. Unsymmetrical halogen⋯halogen inter­actions between the bromine and fluorine atoms are also formed, giving a meandering two-dimensional network propagating in the (041) plane.

Crystal structure of 4-hy­droxy­pyridin-1-ium 3,5-di­carb­oxy­benzoate

A 1:1.4 molar equivalent of benzene-1,3,5-tri­carb­oxy­lic acid cocrystallized with 4-hy­droxy­pyridine yields the 4-hy­droxy­pyridin-1-ium 3,5-di­carb­oxy­benzoate salt.

Crystal structure of 4-({5-[(E)-(3,5-di­fluoro­phen­yl)diazen­yl]-2-hy­droxy­benzyl­idene}amino)-2,2,6,6-tetra­methyl­piperidin-1-ox­yl

The asymmetric unit of the title compound contains two crystallographically independent mol­ecules with the similar conformation, the piperidine rings in both mol­ecules adopt a similar distorted chair conformation and have pseudo mirror planes passing through the N—O bond.

Crystal structure of catena-poly[[tetra­aqua­magnesium]-μ-(di­hydrogen hypodiphosphato)-κ²O:O′]

[Mg(H₂P₂O₆)(H₂O)₄] is the first alkaline earth hypodiphosphate to be structurally determined. It consists of (H₂P₂O₆)²⁻ anions that are bridged by Mg²⁺ cations into a chain structure. Water mol­ecules complete the octa­hedral coordination sphere of the metal and built up a three-dimensional hydrogen-bonding network.

The crystal structure of 4′-{4-[(2,2,5,5-tetra­methyl-N-oxyl-3-pyrrolin-3-yl)ethyn­yl]phen­yl}-2,2′:6′,2′′-terpyridine

The crystal structure of a nitroxide-substituted terpyridine mol­ecule is presented and discussed.

Crystal structure of catena-poly[[[tri­aqua­strontium]-di-μ₂-glycinato] dibromide]

The characteristic structural feature of the title compound is the formation of cationic chains extending parallel to [001], with the Br⁻ counter-anions located in between. Inter­molecular N—H⋯O, N—H⋯Br, O—H⋯O and O—H⋯Br hydrogen bonds stabilize the structure.

Redetermination of the crystal structure of β-zinc molybdate from single-crystal X-ray diffraction data

Crystal structure of a second polymorph of 2-cyclo­penta­dienyl-1,7-dicarba-2-cobalta-closo-dodeca­borane(11)

Crystal structure of [NaZn(BTC)(H₂O)₄]·1.5H₂O (BTC = benzene-1,3,5-tri­carb­oxy­late): a heterometallic coordination compound

Crystal structure of catena-poly[[di­aqua­cobalt(II)]-bis­[μ-5-(4-carb­oxy­ylato­phenyl)picolinato]-κ³N,O²:O⁵;κ³O⁵:N,O²-[di­aqua­cobalt(II)]-μ-1-[4-(1H-imidazol-1-yl)phen­yl]-1H-imidazole-κ²N³:N^3′]

Crystal structure of 1-[(2,4,6-triiso­propyl­phen­yl)sulfon­yl]aziridine

Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde

Redetermined structure of gossypol (P3 polymorph)

Crystal structure of ethyl 4-(2-meth­oxy­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

Crystal structure of 3,4-di­chloro­anilinium hydrogen phthalate

Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate

Crystal structure of (1R,4R)-tert-butyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.2]octane-5-carboxyl­ate

Crystal structure of 2-methyl-3-nitro­benzoic anhydride

Cystal structure of N-[2-(benzo[d][1,3]dioxol-5-yl)eth­yl]-4-methyl­benzene­sulfonamide

Crystal structure of 6-amino-4-(3-bromo-4-meth­oxy­phen­yl)-3-methyl-2,4-di­hydro­pyrano[2,3-c]pyrazole-5-carbo­nitrile di­methyl sulfoxide monosolvate

Crystal structure of 2-cyano-N-(furan-2-ylmeth­yl)acetamide

Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura

Crystal structure of (E)-1,2-bis­(4-bromo-2,6-di­fluoro­phen­yl)diazene

Crystal structure of pymetrozine

Crystal structure of the pyridine–diiodine (1/1) adduct

Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one

Crystal structure of 2-{[2-meth­oxy-5-(tri­fluoro­meth­yl)phen­yl]imino­methyl}-4-nitro­phenol

Crystal structure of 3-amino-1-(4-meth­oxy­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile

Crystal structure of azimsulfuron

Crystal structure of cis-anti-cis-di­cyclo­hexane-18-crown-6 aceto­nitrile disolvate

Crystal structure of 3-acet­oxy-2-methyl­benzoic acid

Crystal structure of 4-methyl­benzyl N′-[(thio­phen-2-yl)methyl­idene]hydrazinecarbodi­thio­ate

Crystal structure of ethyl 2-acetyl-3,7-di­methyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate

Crystal structure of 2-amino-4,6-di­meth­oxy­pyrimidinium thio­phene-2-carboxyl­ate

Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile

Crystal structure of 15,16-ep­oxy-7β,9α-di­hydroxy­labdane-13(16),14-dien-6-one

Crystal structure of (E)-5,5-di­methyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione

Crystal structure of 1,2-di­benzoyl­ace­naphthyl­ene

Crystal structure of (6-bromo-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodi­thio­ate

Crystal structure of 2-diazo­imidazole-4,5-dicarbo­nitrile

Crystal structure of 5-(1-benzo­furan-2-yl)-3-(4-methyl­phen­yl)-4,5-di­hydro-1,2-oxazol-5-ol

Crystal structure of oxadiarg­yl

Crystal structure of 3-(hy­droxy­meth­yl)chromone

Crystal structure of (E)-1-{[(3,5-di­methyl­phen­yl)imino]­meth­yl}naphthalen-2-ol

Crystal structure of N-[(morpholin-4-yl)(thio­phen-2-yl)meth­yl]benzamide

Crystal structure of (E)-4,4′-(but-2-ene-1,4-di­yl)bis­(2-meth­oxy­phenol)

Crystal structure of (2-hy­droxy-5-methyl­phen­yl)(3-methyl-1-phenyl-1H-pyrazolo­[3,4-b]pyridin-5-yl)methanone

Crystal structure of (E)-5-di­ethyl­amino-2-({[4-(di­methyl­amino)­phen­yl]imino}­meth­yl)phenol

Crystal structure of 1,4-dieth­oxy-9,10-anthra­quinone

Crystal structure of 1,2-bis­(2,6-di­methyl­phen­yl)-3-phenyl­guanidine

Crystal structure of N-[(naphthalen-1-yl)carbamo­thio­yl]cyclo­hexa­necarboxamide

Crystal structure of 1′-(prop-2-yn-1-yl)-1,4-di­hydro­spiro­[benzo[d][1,3]oxazine-2,3′-indolin]-2′-one

Crystal structure of 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl­amino-3-nitro-4H,5H-pyrano[3,2-c]chromen-5-one chloro­form monosolvate

Crystal structure of ethyl 2-(2,4,5-tri­meth­oxy­phen­yl)quinoline-4-carboxyl­ate

Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbo­nitrile

Crystal structure of 4α-hy­droxy-5α,8β(H)-eudesm-7(11)-en-8,12-olide monohydrate

Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate

Crystal structure of 11-[4-(hex­yloxy)phen­yl]-1,2,4-triazolo[4,3-a][1,10]phenanthroline

Crystal structure of 3-bromo-2-hy­droxy­benzo­nitrile

Crystal structure of 3,9,9-tri­methyl-2,3,3a,4,9,9a-hexa­hydro-1H-cyclo­penta[b]quinolin-4-ium chloride

Crystal structure of 3-acetyl-4H-chromen-4-one

Crystal structure of (E)-dodec-2-enoic acid

Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate