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Crystal structure of 2-diazo-imidazole-4,5-dicarbo-nitrile.

ABSTRACT: In the title compound, C5N6, all the atoms are approximately coplanar. In the crystal, mol-ecules are packed with short contact distances of 2.885 (2) (between the diazo N atom connected to the ring and a cyano N atom on a neighboring mol-ecule) and 3.012 (2) Å (between the terminal diazo N atom and an N atom of a neighboring imidazole ring).

SUBMITTER: Parrish DA

PROVIDER: S-EPMC4518995 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of [1,1'-biphen-yl]-2,2'-dicarbo-nitrile.

Project description:The complete mol-ecule of the title compound, C14H8N2, is generated by a twofold rotation axis located at the midpoint of the biphenyl C-C bond. The dihedral angle between the symmetry-related phenyl rings is 46.16 (3)°. In the crystal, mol-ecules are linked by slipped parallel π-π inter-actions [centroid-centroid distance = 3.9451 (7) Å, normal distance = 3.6293 (5) Å, slippage 1.547 Å], forming columns along the b-axis direction.

| S-EPMC4459381 | biostudies-literature

4,5-Diphen-oxy-benzene-1,2-dicarbo-nitrile.

Project description:In the title compound, C(20)H(12)N(2)O(2), the phenyl and benzene rings are mutually perpendicular, with the dihedral angle between the phenyl rings being 87.92?(16)° and those formed between the phenyl rings and the benzene rings being 73.68?(15) and 84.65?(15)°. Helical supra-molecular chains along [010], mediated by C-H?N inter-actions, are found in the crystal structure.

| S-EPMC3297324 | biostudies-literature

Crystal structure of 2,3'-bi-pyridine-2',6'-dicarbo-nitrile.

Project description:The title compound, C12H6N4, crystallizes with four independent mol-ecules (A, B, C and D) in the asymmetric unit. The dihedral angles between the two pyridine rings in each mol-ecule are 25.25 (8)° in A, 5.51 (9)° in B, 11.11 (9)° in C and 16.24 (8)° in D. In the crystal, mol-ecules A and B are linked by C-H⋯N hydrogen bonds to form layers extending parallel to the ab plane, while mol-ecules C and D are linked by C-H⋯N hydrogen bonds forming -C-D-C-D- chains propagating along the b-axis direction. The layers and the chains are stacked alternately along the c axis through offset π-π and C≡N⋯π [N-to-pyridine-centroid distance = 3.882 (2) Å] inter-actions, resulting in the formation of a supra-molecular framework.

| S-EPMC6127714 | biostudies-literature

(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarbo-nitrile.

Project description:The title compound, C7H8N2O2, formed by dehydration of the corresponding dicarboxamide, crystallizes as rectangular prisms. The mol-ecules have a C 2 axis of symmetry through the C atom bearing the methyl groups and the mid-point of the ring C-C bond, and the 1,3-dioxolane ring adopts the extreme twist conformation of the two possible with this symmetry. This brings the two nitrile groups nearest to a linear arrangement when the mol-ecule is viewed along the ring C-C bond. The correct absolute configuration of the mol-ecule was defined by that of the original starting material, (2R,3R)-tartaric acid. The packing is largely controlled by a number of C-H⋯N interactions.

| S-EPMC3770379 | biostudies-literature

Crystal structure of 4,5-di-nitro-1H-imidazole.

Project description:The title compound, C3H2N4O4, forms crystals with two mol-ecules in the asymmetric unit which are conformationally similar. With the exception of the O atoms of the nitro groups, the mol-ecules are essentially planar. In the crystal, adjacent mol-ecules are associated by N-H⋯N hydrogen bonds involving the imidazole N-H donors and N-atom acceptors of the unsaturated nitro-gen of neighboring rings, forming layers parallel to (010).

| S-EPMC4555365 | biostudies-literature

Crystal structure of 2-azido-1H-imidazole-4,5-di-carbonitrile.

Project description:In the title compound, C5HN7, the nitrile and azido substituents are close to being coplanar with the central ring. Mol-ecules in the crystal are linked via an N-H⋯N hydrogen bond to a nitrile acceptor, forming a chain extending along the c-axis direction.

| S-EPMC4555391 | biostudies-literature

Crystal structure of trans-1,4-bis-[(tri-methyl-sil-yl)-oxy]cyclo-hexa-2,5-diene-1,4-dicarbo-nitrile.

Project description:The asymmetric unit of the title compound, C14H22N2O2Si2, contains one half of the mol-ecule, which is completed by inversion symmetry. The cyclo-hexa-2,5-diene ring is exactly planar and reflects the bond-length distribution of a pair of located double bonds [1.3224?(14)?Å] and two pairs of single bonds [1.5121?(13) and 1.5073?(14)?Å]. The tetra-hedral angle between the sp (3)-C atom and the two neighbouring sp (2)-C atoms in the cyclo-hexa-2,5-diene ring is enlarged by about 3°.

| S-EPMC4158486 | biostudies-literature

Crystal structure of 4'-bromo-2,5-dihy-droxy-2',5'-dimeth-oxy-[1,1'-biphen-yl]-3,4-dicarbo-nitrile.

Project description:In the crystal of the title substituted hemibi-quinone derivative, C16H11BrN2O4 or [BrHBQH2(CN)2], the substituted benzene rings are rotated about the central C-C bond, forming a dihedral angle of 53.59 (7)°. The ring systems inter-act through an intra-molecular O-H⋯Ometh-oxy hydrogen bond, which induces a geometry quite different from those in previously reported hemibi-quinone structures. In the crystal, the mol-ecules associate through an inter-molecular O-H⋯Nnitrile hydrogen bond, forming chains which extend along [100] and are inter-linked through very weak C-H⋯N hydrogen bonds, giving a overall two-dimensional structure lying parallel to (010).

| S-EPMC4908508 | biostudies-literature

5-Bromo-benzene-1,3-dicarbo-nitrile.

Project description:The asymmetric unit of the title compound, C8H3BrN2, consists of two mol-ecules. The crystal structure features undulating mol-ecular sheets with the mol-ecules linked by C-H?N hydrogen bonds with one N atom acting as a bifurcated acceptor. N?Br inter-actions also occur [N?Br = 2.991?(3) and 3.099?(3)?Å]. Inter-layer association is accomplished by offset face-to-face arene inter-actions [centroid-centroid distance = 3.768?(4)?Å].

| S-EPMC3885018 | biostudies-literature

Crystal structure of 5-benzoyl-2,4-di-phenyl-4,5-di-hydro-furan-3-carbo-nitrile.

Project description:In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O-C-C-O torsion angle is 4.62 (19)°. The puckering of the dihydro-furan ring is close to twisted ((4) T 5), with parameters Q = 0.1856 (16) Å and φ = 313.5 (5)°. Mol-ecules are inter-connected via a C-H⋯N and a C-H⋯O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R 4 (4)(28) and R 4 (4)(36) graph-set motifs. The furan O atom does not participate in inter-molecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7 (8) Å(3).

| S-EPMC4555400 | biostudies-literature

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