1,2-Bis[(1,3-benzodioxol-5-yl)methyl­idene]hydrazine

The complete mol­ecule of the title compound, C₁₆H₁₂N₂O₄, is generated by the application of a centre of inversion. The (1,3-benzodioxol-5-yl)methyl­idene fused-ring system is approximately planar (r.m.s. deviation = 0.020 Å) and is essentially coplanar with the central hydrazine group [dihedral angle = 5.08 (9)°]. Weak π–π inter­molecular inter­actions are observed [centroid–centroid distance = 3.8553 (8) Å], providing some packing stability.

1,2-Bis(3-phen­oxy­benzyl­idene)hydrazine

Mol­ecules of the title compound, C₂₆H₂₀N₂O₂, reside on crystallographic centres of inversion located at the mid-point of the N—N bond. The benzyl­idene ring is essentially coplanar with the central hydrazine group, with an inter­planar angle of 4.5 (2)°, whereas the phenyl ring is oriented at 34.0 (3)° with respect to the mean plane of the central 1,2-dibenzyl­idenehydrazine group. In the crystal, C—H...π(arene)-ring inter­actions link mol­ecules about inversion centres.

N-(4,6-Dimeth­oxy­pyrimidin-2-yl)-2-(3-methyl­phen­yl)acetamide

In the title compound, C₁₅H₁₇N₃O₃, the dihedral angle between the pyrimidine and benzene rings is 87.0 (7)°. In the crystal, mol­ecules are linked into inversion dimers with R₂²(8) graph-set motifs by a pair of N—H...O hydrogen bonds. Weak C—H...O hydrogen bonds and inter­molecular π–π inter­actions [centroid–centroid distance = 3.544 (1) Å] are also observed.

1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate

In the title compound, C₂₉H₂₂Br₂O₃, the dihedral angles between the mean planes of the benzene rings within each biphenyl group are 26.7 (8) and 30.9 (8)°. The mean planes of the terminal and inner benzene rings of the biphenyl groups bonded through a propan-1-one group in the V-shaped mol­ecule are oriented at angles of 66.1 (7) and 60.0 (8)°, respectively. The two Br atoms are opposite the propen-1-one group. Weak inter­molecular C—H...O and C—H...π inter­actions are observed in the crystal structure.

3,3-Dimethyl-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-1,2-dione (bruceolline E)

The title compound, C₁₃H₁₁NO₂, crystallizes with two mol­ecules in the asymmetric unit. The crystal packing is stabilized by N—H...O hydrogen bonds, which link the mol­ecules into chains along [10], and weak C—H...O inter­actions.

(2E)-1-(3,4-Dichloro­phen­yl)-3-(2-hy­droxy­phen­yl)prop-2-en-1-one

In the title compound, C₁₅H₁₀Cl₂O₂, the dihedral angle between the mean planes of the two benzene rings is 7.7 (6)°. The crystal packing is influenced by O—H...O hydrogen bonds, which form chains along [010]. Weak π–π stacking inter­actions [centroid–centroid distance = 3.6697 (13) Å] are observed, which may contribute to the crystal packing stability.

Redetermination of loperamide monohydrate

The structure of the title compound {systematic name: 4-[4-(4-chloro­phen­yl)-4-hy­droxy­piperidin-1-yl]-N,N-dimethyl-2,2-di­phenyl­butanamide monohydrate}, C₂₉H₃₃ClN₂O₂·H₂O, has been redetermined at 170 (2) K. The redetermination is of significantly higher precision than the previous structure determination at room temperature and includes the H-atom coordinates that were not included in the previous report [Germain et al. (1977). Acta Cryst. B33, 942–944]. It consists of a piperidin-1-yl ring in a distorted chair conformation, with the N,N-dimethyl-α,α-diphenyl­butyramide and the 4-chloro­phenyl and hy­droxy groups bonded in para positions and an external water mol­ecule within the asymmetric unit. The dihedral angles between the mean plane of the piperidine ring and the 4-chloro­phenyl and two benzene rings are 83.4 (5), 76.4 (2) and 85.9 (2)°, respectively. The two benzene rings are inclined to one another by 50.8 (6)°. In the crystal, mol­ecules are linked by O—H...O and O—H...N hydrogen bonds and weak C—H...O intermolecular interactions, forming an infinite two-dimensional network along [110].

Ethyl 2-amino-4,6-bis­(4-fluoro­phen­yl)cyclo­hexa-1,3-diene-1-carboxyl­ate

In the title compound, C₂₁H₁₉F₂NO₂, the cyclo­hexa-1,3-diene ring is in a distorted envelope conformation. The dihedral angles between the mean planes of the diene moiety and the two fluoro­phenyl rings are 42.8 (2) and 75.0 (5)°. The two fluoro­phenyl rings are inclined to one another by 87.0 (3)°. In the crystal, intra­molecular N—H...O hydrogen bonds and weak N—H...O and N—H...F inter­molecular inter­actions are observed forming an infinite two-dimensional network along [011].

(6Z)-3,5-Bis(4-fluoro­phen­yl)-6-(1-hy­droxy­ethyl­idene)cyclo­hex-2-en-1-one

In the title compound, C₂₀H₁₆F₂O₂, the cyclo­hex-2-en-1-one ring adopts a distorted envelope conformation and the dihedral angles between its six-atom mean plane and the fluorophenyl rings are 38.9(8) and 82.3(1)°. The two fluoro­phenyl rings are oriented at an angle of 77.3 (3)°. The long hy­droxy O—H bond length of 1.22 (3) and the H...O distance of 1.28 (3) Å, together with a longer than expected C=O bond length [1.290 (2) Å] in the hy­droxy(en-1-one) group, indicate sharing of the H atom as O...H...O between the two O atoms and the influence of electron delocalization. Weak C—H...O inter­molecular inter­actions form an infinite two-dimensional network in (011).

Di-μ-bromido-bis­{[N,N-dimethyl-N′-(thio­phen-2-yl­methyl­idene)ethane-1,2-diamine]­copper(I)]}

In the crystal structure of the title compound, [Cu₂Br₂(C₉H₁₄N₂S)₂], the mol­ecule resides about a crystallographic inversion center. The coordination sphere around each copper ion has a distorted tetra­hedral geometry, with ligation by two bridging bromide ions, an amine N atom and an imine N atom. The thio­phene ring is disordered over two sites, with occupancies of 0.719 (3) and 0.281 (3). Weak C—H...π inter­actions feature in the crystal packing.

(2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one

There are two independent mol­ecules in the asymmetric unit of the title compound, C₁₆H₁₁Cl₂FO₂. The F atom equally populates both meta positions of the 6-dichloro-3-fluoro­phenyl ring in each mol­ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5 (2) and 89.8 (8)°in the two mol­ecules. In the crystal, weak C—H...F and C—H...O inter­actions involving the half-occupied H and F atoms are observed. Weak π–π stacking inter­actions [centroid—centroid distance = 3.150 (2) Å] also contribute to the crystal stability.

5-(Thio­phen-2-ylmeth­yl)-1,3,4-thia­diazol-2-amine

In the title mol­ecule, C₇H₇N₃S₂, the dihedral angle between the thio­phene and thia­diazole rings is 72.99 (5)°; the two rings are oriented so that the S atoms in each ring are on the same side. In the crystal, the three-dimensional network involves strong N—H...O hydrogen bonds, as well as C—H...π and π–π stacking inter­actions [centroid–centroid distances = 3.654 (1) and 3.495 (1) Å].

Trimethyl­ammonium dichlorido­triphenyl­stannate(IV)

In the structure of the title monomeric coordination salt, (C₃H₁₀N)[Sn(C₆H₅)₃Cl₂], the Sn^IV atom is five coordinate, with the SnC₃Cl₂ entity in a trans trigonal–bipyramidal arrangement and the chlorine atoms in apical positions. In the crystal, the cations and anions are connected by N—H...Cl hydrogen bonds.

N,N-Dicyclo­hexyl­cyclo­hexa­ne­carboxamide

In the title compound, C₁₉H₃₃NO, all three cyclo­hexane rings adopt chair conformations. The crystal packing features weak C—H...O inter­actions, forming a supra­molecular chain along the c axis.

1-{4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-yl}ethanone

In the title compound, C₁₉H₂₀F₂N₂O, the six-membered piperazine group adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the two benzene rings is 73.4 (6)°. The mean plane of the ethanone group is twisted from the mean planes of the two benzene rings by 66.7 (8) and 86.2 (6)°. In the crystal, C—H...O and C—H...F inter­actions link the molecules, forming a three-dimensional structure.

Bis(pyrrolidin-1-yl)phosphinic (2,4-di­fluoro­benzo­yl)amide

The P atom in the title mol­ecule, C₁₅H₂₀F₂N₃O₂P, is in a distorted tetra­hedral P(O)(N)(N)₂ environment. The phosphoryl group and the NH unit adopt a syn orientation with respect to each other. An F atom at position 2 and an H atom at position 6 are found to occupy similar sites in a 0.70:0.30 ratio and were refined with fixed occupancies. The pyrrolidin-1-yl rings are disordered over two sets of sites, with site occupancies of 0.566 (6) and 0.434 (6), and were refined using a two-part model. In the crystal, hydrogen-bonded dimers linked by pairs of N—H...O(P) hydrogen bonds generate an R₂²(8) ring motif.

1-Butyl-3-ethyl-1H-benzimidazol-3-ium tetra­fluoro­borate

In the title salt, C₁₃H₁₉N₂⁺·BF₄⁻, an ionic liquid, the butyl and ethyl substituents bonded to the N atoms of the imidazole ring [r.m.s. deviation = 0.019 (1) Å] adopt equatorial positions. The crystal structure exhibits slipped π–π inter­actions between the imidazole and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.529 (2) Å]. In the tetra­fluoro­borate anion, the B and F atoms are disordered over two sets of sites with site-occupancy factors of 0.813 (7) and 0.187 (7).

[2-(Biphenyl-4-yl)-1,3-thia­zol-4-yl]methanol

In the title compound, C₁₆H₁₃NOS, the central benzene ring makes dihedral angles of 3.25 (7) and 41.32 (8)°, respectively, with the thia­zole and phenyl rings. In the crystal, O—H...N hydrogen bonds link the mol­ecules into a chain along the c axis. A weak C—H...O inter­action further connects the chains into a layer parallel to the ac plane.

N-Ethyl-2-[1-(2-hy­droxy-6-meth­oxy­phenyl)ethyl­idene]hydrazinecarbothio­amide

In the title compound, C₁₂H₁₇N₃O₂S, the dihedral angle between the mean planes of the hydrazinecarbothio­amide group and the benzene ring is 86.8 (4)°. In the crystal, inter­molecular O—H...S hydrogen bonds link the mol­ecules into chains along [001]. The crystal studied was an inversion twin, the refined ratio of the twin components being 0.98021 (3):0.01978 (7).

N,N′-Dibenzyl-N′′-(2-chloro-2,2-difluoro­acet­yl)phospho­ric triamide

In the title mol­ecule, C₁₆H₁₇ClF₂N₃O₂P, the N—H unit of the C(=O)NHP(=O) fragment adopts a syn orientation with respect to the P=O group. The two F atoms and the Cl atom of the ClF₂C group are disordered over two sets of sites with refined occupancies of 0.605 (6) and 0.395 (6). In the crystal, mol­ecules are linked via N—H...O=C hydrogen bonds and the (N—H...)(N—H...)O=P group into chains along [010].

(±)-(4bS,8aR,10aS)-10a-Ethynyl-4b,8,8-trimethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octa­hydro­phenanthrene-2,6-dicarbonitrile

The anti-inflammatory and cytoprotective tricyclic title compound, C₂₁H₁₈N₂O₂, also known as TBE-31, crystallizes with two nearly superimposable mol­ecules in the asymmetric unit. In both mol­ecules, the three ring systems conform to an envelope–chair–planar arrangement. The central ring, in a cyclohexane chair conformation, contains an axial ethynyl group that bends slightly off from a nearby axial methyl group because of the 1,3-diaxial repulsion between the two groups. In the crystal, weak C—H...N and C—H...O inter­actions form chains along [001].

4-Methyl­phenyl quinoline-2-carboxyl­ate

In the title compound, C₁₇H₁₃NO₂, two mol­ecules crystallize in the asymmetric unit. The dihedral angle between the mean planes of the quinoline and benzene rings are 78.3 (4) and 88.2 (3)°. The carboxyl­ate group is twisted slightly from the quinoline ring by 7.1 (2) and 13.3 (4)°, respectively. In the crystal, weak C—H...O inter­actions are observed. Further stabilization is provided by weak π–π stacking inter­actions, with centroid–centroid distances of 3.564 (9)/3.689 (2) and 3.830 (1)/3.896 (5)Å, respectively.

(E)-N′-(4-Meth­oxy­benzyl­idene)-2-m-tolyl­acetohydrazide

In the title mol­ecule, C₁₇H₁₈N₂O₂, the benzene rings form a dihedral angle of 83.0 (7)°. In the crystal, N—H...O hydrogen bonds, in an R²₂(8) graph-set motif, link mol­ecules into centrocymmetric dimers, and weak C—H...π inter­actions further link these dimers into columns in [100].

2-(2-Nitro­phen­yl)acetohydrazide

In the title compound, C₈H₉N₃O₃, the dihedral angle between the benzene ring and the acetohydrazide C—C(=O)—N—N plane [maximum deviation = 0.0471 (13) Å] is 87.62 (8)°. The nitro group is twisted by 19.3 (2)° with respect to the benzene ring. In the crystal, N—H...O hydrogen bonds link the mol­ecules into a double-column structure along the b axis.

2-(4-Methyl­phen­yl)acetohydrazide

In the title compound, C₉H₁₂N₂O, the dihedral angle between the benzene ring and the mean plane of the acetohydrazide group is 88.2 (7)°. In the crystal, N—H...O hydrogen bonds and weak C—H...O inter­actions link the mol­ecules into infinite ribbons along [001].