Synthesis, mol-ecular and crystal structure of [(NH)CSSC(NH)][RuBr]Br·3HO.

The title compound, bis-[di-thio-bis-(formamidinium)] hexa-bromido-ruthenium dibromide trihydrate, [(NH)CSSC(NH)][RuBr]Br·3HO, crystallizes in the ortho-rhom-bic system, space group , = 4. The [RuBr] anionic complex has an octa-hedral structure. The Ru-Br distances fall in the range 2.

Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thio-phen-2-yl)cyclo-hex-3-ene-1,3-di-carboxyl-ate.

In the title compound, CHNOS, the cyclo-hexene ring adopts nearly an envelope conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions connect the mol-ecules by forming layers parallel to the (010) plane.

Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-[(1,3)-1-cyano-2,4-di-phenyl-penta-1,3-dien-1-yl]pyridine-3,5-dicarbo-nitrile monohydrate.

The asymmetric unit of the title compound, CHN·HO, comproses two mol-ecules ( and ), together with a water mol-ecule. The terminal phenyl groups attached to the methyl groups of the mol-ecules and do not overlap completely, but are approximately perpendicular. In the crystal, the mol-ecules are connected by N-H⋯N, C-H⋯N, O-H⋯N and N-H⋯O hydrogen bonds with each other directly and through water mol-ecules, forming layers parallel to the (001) plane.

Crystal structure and Hirshfeld surface analysis of dimethyl 4'-bromo-3-oxo-5-(thio-phen-2-yl)-3,4,5,6-tetra-hydro-[1,1'-biphen-yl]-2,4-di-carboxyl-ate.

In the title compound, CHBrOS, mol-ecules are connected by inter-molecular C-H⋯S hydrogen bonds with (10) ring motifs, forming ribbons along the -axis direction. C-H⋯π inter-actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H⋯H (40.

Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2-pyrido[1,2-]pyrimidine-7,9-dicarbo-nitrile.

In the ten-membered 1,3,4,6-tetra-hydro-2-pyrido[1,2-]pyrimidine ring system of the title compound, CHN, the 1,2-di-hydro-pyridine ring is essentially planar (r.m.s.

Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanyl-idene-5-(thio-phen-2-yl)-3,4,7,8,9,10-hexa-hydro-2-pyrido[1,6-:2,3-']di-pyrimidine-6-carbo-nitrile.

In the title compound, CHNOS, mol-ecular pairs are linked by N-H⋯N hydrogen bonds along the axis direction and C-H⋯S and C-H⋯O hydrogen bonds along the axis direction, with (12) and (16) motifs, respectively, thus forming layers parallel to the (10) plane. In addition, C=S⋯π and C≡N⋯π inter-actions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H⋯H (43.

Crystal structure and Hirshfeld surface analysis of (2)-1-phenyl-3-(1-pyrrol-2-yl)propen-1-one.

The title com-pound, CHNO, adopts an configuration about the C=C double bond. The pyrrole ring is inclined to the phenyl ring at an angle of 44.94 (8)°.

Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one.

In the crystal of the title compound, CHClNO, mol-ecular pairs form dimers with an (8) motif through N-H⋯O hydrogen bonds. These dimers are connect into ribbons parallel to the (100) plane with (10) motifs by N-H⋯O hydrogen bonds along the axis direction. In addition, π-π [centroid-to-centroid distance = 3.

Crystal structure and Hirshfeld surface analysis of (2)-3-oxo--phenyl-2-[(1-pyrrol-2-yl)methylidene]butanamide monohydrate.

In the title compound, CHNO·HO, the 1-pyrrole ring makes a dihedral angle of 59.95 (13)° with the phenyl ring. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds into layers parallel to the (020) plane, while two mol-ecules are connected to the water mol-ecule by two N-H⋯O hydrogen bonds and one mol-ecule by an O-H⋯O hydrogen bond.

Crystal structure and Hirshfeld surface analysis of (2)-1-(4-bromo-phen-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one.

In the title com-pound, CHBrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is . In the crystal, the mol-ecules are linked into chains by weak C-H⋯O inter-actions along the axis.

Crystal structure and Hirshfeld surface analysis of ()-1-(2,4-di-methyl-furan-3-yl)-3-phenyl-prop-2-en-1-one.

The title compound, CHO, adopts an configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03 (9)°.

Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile.

In the title compound, CHNS, the thio-phene ring is disordered in a 0.6:0.4 ratio by an approximate 180° rotation of the ring around the C-C bond linking it to the pyridine ring.

Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1-[1,2,4]triazolo[1,5-]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate.

In the title compound, CHNO·CHOS, the [1,2,4]triazolo[1,5-]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl-amino and phenyl rings.

Crystal structure and Hirshfeld surface analysis of 1,6-di-amino-2-oxo-4-(thio-phen-2-yl)-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.

The asymmetric unit of the title compound, CHNOS, contains two independent mol-ecules (1 and 2). The thio-phene ring in mol-ecule 2 is rotationally disordered (flip disorder) by 180° (around the single C-C bond, to which it is attached) over two sites with the site-occupation factors of 0.9 and 0.

Crystal structure and Hirshfeld surface analysis of 2,2'-[(3,5-di--butyl-4-hy-droxy-phen-yl)methanedi-yl]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).

In the title compound, CHO, mol-ecules are connected by O-H⋯O and C-H⋯O hydrogen bonds, forming hydrogen-bonded zigzag chains running along the axis and parallel to the (001) plane. The mol-ecular packing is stabilized by van der Waals inter-actions between these chains along the and axes. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.

Crystal structure and Hirshfeld surface analysis of (5a,8a)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2-]furan-6-yl ()-2-methyl-but-2-enoate extracted from .

In the title compound, CHO, the two cyclo-hexane rings adopt boat and half-chair conformations. In the crystal, adjacent mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. According to a Hirshfeld surface study, H⋯H inter-actions are the most significant contributors to the crystal packing (63.

Crystal structure and Hirshfeld surface analysis of 2,5-di-imino-8a-methyl-4,9-bis-(4-methyl-phen-yl)-7-oxo-6-phenyl-deca-hydro-2-3,8-methano-pyrano[3,2-]pyridine-3,4a-dicarbo-nitrile ,-di-methyl-formamide monosolvate.

In the title compound, CHNO·CHNO, the bi-cyclo[3.3.1]nonane ring sys-tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring.

Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxo-spiro-[indoline-3,4'-pyran]-5'-carboxyl-ate.

The crystal used for structure determination contained, along with the title compound, CHBrNO, an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-di-hydro-1-indole ring system is nearly planar, while the conformation of the 4-pyran ring is close to a flattened boat.

Crystal structure and Hirshfeld surface analysis of methyl 4'-amino-3',5'-di-cyano-2,2''-dioxodi-spiro[indoline-3,1'-cyclo-pentane-2',3''-indolin]-3'-ene-5'-carboximidate with an unknown solvent.

In the title compound, CHNO, the central five-membered cyclo-pentene ring adopts an envelope conformation while the five-membered spiro 2,3-di-hydro-1-pyrrole rings exhibit twisted envelope and envelope conformations. One of the 1,3-di-hydro-2-indol-2-one units is in an axial position and the other is in a bis-ectional position. The methyl methanimidate unit is in an equatorial position.

Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl-butan-2-yl)-2-hy-droxy-2-methyl-4-phenyl-cyclo-hexane-1,1-dicarbo-nitrile.

The central cyclo-hexane ring of the title compound, CHNO, adopts a chair conformation, with puckering parameters = 0.618 (2) Å, θ = 176.72 (19)° and φ = 290 (3)°.

Crystal structure and Hirshfeld surface analysis of 2-(4-bromo-phen-yl)-4-methyl-6-oxo-1-phenyl-1,6-di-hydro-pyridine-3-carbo-nitrile.

In the title compound, CHBrNO, the pyridine ring is essentially planar [maximum deviation = 0.024 (4) Å for the N atom] and makes dihedral angles of 74.6 (2) and 65.

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemi-hydrate and 1,6-di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.

In 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemihydrate, CHBrNO·0.5HO, (I), pairs of mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming dimers with an (12) ring motif. The dimers are connected by N-H⋯Br and O-H⋯O hydrogen bonds, and C-Br⋯π inter-actions, forming layers parallel to the (010) plane.

Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-tri-methyl-benz-yl)oxazolidin-2-yl]phenol.

The title compound, CHBrNO, is chiral at the carbon atoms on either side of the oxygen atom of the oxazolidine ring and crystallizes as a racemate. The 1,3-oxazolidine ring adopts an envelope conformation with the N atom in an position. The mean plane of the oxazolidine ring makes dihedral angles of 77.

Crystal structure and Hirshfeld surface analysis of 2,2'-(phenyl-aza-nedi-yl)bis-(1-phenyl-ethan-1-one).

The whole mol-ecule of the title compound, CHNO, is generated by twofold rotational symmetry. The N atom exhibits a trigonal-planar geometry and is located on the twofold rotation axis. In the crystal, mol-ecules are linked by C-H⋯O contacts with (12) ring motifs, and C-H⋯π inter-actions, resulting in ribbons along the axis direction.