Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromo-phen-yl)-1,2,3,4-tetra-hydro-quinolin-4-yl]pyrrolidin-2-one.

This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromo-phen-yl)-1,2,3,4-tetra-hydro-quinolin-4-yl]pyrrolidin-2-one, CHBrNO. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, C-H⋯O and C-H⋯Br hydrogen bonds, forming a three-dimensional network.

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 of bis-[(η--butyl-cyclo-pentadien-yl)tri-carbonyl-molybdenum(I)](-).

The dinuclear mol-ecule of the title compound, [Mo(CH)(CO)] or [Mo( BuCp)(CO)] where Bu and Cp are -butyl and cyclo-penta-dienyl, is centrosymmetric and is characterized by an Mo-Mo bond length of 3.2323 (3) Å. Imposed by inversion symmetry, the BuCp and the carbonyl ligands are in a arrangement to each other.

Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one.

In the title compound, CHBrFNO, the pyrrolidine ring adopts an envelope conformation. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, C-H⋯O, C-H⋯F and C-H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions connect mol-ecules into ribbons along the -axis direction, consolidating the mol-ecular packing.

Crystal structure and Hirshfeld surface analysis of 3,3'-[ethane-1,2-diylbis(-oxy)]bis-(5,5-di-methyl-cyclo-hex-2-en-1-one) including an unknown solvate.

The title mol-ecule, CHO, consists of two symmetrical halves related by the inversion centre at the mid-point of the central -C-C- bond. The hexene ring adopts an envelope conformation. In the crystal, the mol-ecules are connected into dimers by C-H⋯O hydrogen bonds with (8) ring motifs, forming zigzag ribbons along the -axis direction.

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 structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[()-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[()-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[()-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.

The crystal structures and Hirshfeld surface analyses of three similar azo compounds are reported. Methyl 4-{2,2-di-chloro-1-[()-phenyl-diazen-yl]ethen-yl}benzoate, CHClNO, (), and methyl 4-{2,2-di-chloro-1-[()-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate, CHClNO, (), crystallize in the space group 2/ with = 4, and methyl 4-{2,2-di-chloro-1-[()-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate, CHClNO, (), in the space group with = 2. In the crystal of (), mol-ecules are linked by C-H⋯N hydrogen bonds, forming chains with (6) motifs parallel to the axis.

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-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid ,-di-methylformamide monosolvate.

In the title compound, CHNO·CHNO, the asymmetric unit contains two crystallographically independent mol-ecules and , each of which has one DMF solvate mol-ecule. Mol-ecules and both feature intra-molecular N-H⋯O hydrogen bonds, forming (6) ring motifs and consolidating the mol-ecular configuration. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect mol-ecules and , forming (8) ring motifs.

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 of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-(2-{[(2-methoxyeth-yl)(meth-yl)amino]-meth-yl}benzyl-idene)ruth-en-ium.

The title compound, [RuCl(CHNO)], is an example of a new generation of ,-dialkyl ruthenium catalysts with an N-Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.244, which indicates a geometry inter-mediate between square-based pyramidal and trigonal-bipyramidal.

Crystal structure and Hirshfeld surface analysis of dimethyl 4-hy-droxy-5,4'-dimethyl-2'-(toluene-4-sulfonyl-amino)-biphenyl-2,3-di-carboxyl-ate.

In the title compound, CHNOS, the mol-ecular conformation is stabilized by intra-molecular O-H⋯O and N-H⋯O hydrogen bonds, which form (6) and (8) ring motifs, respectively. The mol-ecules are bent at the S atom with a C-SO-NH-C torsion angle of -70.86 (11)°.

Crystal structure and Hirshfeld surface analysis of dieth-yl (3a,31,4,5,6,6a,7,9a)-3a1,5,6,6a-tetra-hydro-1,3,4,7-3a,6:7,9a-di-epoxy-benzo[]isochromene-4,5-di-carboxyl-ate.

In the title compound, CHO, two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetra-hydro-furan and di-hydro-furan rings adopt envelope conformations. The oxane ring is puckered.

Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1-pyrrol-2-yl)methyl]thiophene.

In the title compound, CHNS, the asymmetric unit comprises two similar mol-ecules ( and ). In mol-ecule , the central thio-phene ring makes dihedral angles of 89.96 (12) and 57.

Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia-zol-5-yl)ethan-1-one.

In the title compound, CHNOS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol-ecules are linked by N-H⋯N hydrogen bonds, forming (8) ring motifs.

Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di-methyl-phen-yl)-5-(4-nitro-phen-yl)-2-1,2,3-triazole.

In the title compound, CHNO, the 3,5-di-methyl-phenyl and 4-nitro-phenyl rings are inclined to the central 2-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)°, respectively, and to one another by 2.

Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1)-1-[(carbamo-thioyl-amino)-imino]eth-yl}-4-methyl-1,3-thia-zol-3-ium chloride monohydrate.

In the hydrated title salt, CHNS ·Cl·HO, the asymmetric unit comprises one 2-amino-5-{(1)-1-[(carbamo-thioyl-amino)-imino]-eth-yl}-4-methyl-1,3-thia-zol-3-ium cation, one chloride anion and one water mol-ecule of crystallization. The cation is nearly flat (r.m.

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)°.