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Acta Crystallographica Section E: Crystallographic Communications logoLink to Acta Crystallographica Section E: Crystallographic Communications
. 2015 Nov 21;71(Pt 12):o978. doi: 10.1107/S2056989015021441

Crystal structure of 2-butyl­sulfanyl-4,6-bis­[(E)-4-(di­methyl­amino)­styr­yl]pyrimidine

Jingbao Song a, Qiang Zhou a, Aijian Wang a,*
PMCID: PMC4719932  PMID: 26870560

Abstract

In the title compound, C28H34N4S, the dihedral angles between the pyrimidine ring and the pendant 4-(di­methyl­amino)­benzene rings are 14.20 (5) and 14.56 (4)°. The butyl side chain adopts an anti conformation [C—C—C—C = −171.53 (13)°]. No directional inter­actions beyond van der Waals contacts occur in the crystal structure The title mol­ecule has a D–A–D structure, in which the pyrimidine ring is the electron-withdrawing part and the 4-(di­methyl­amino)­benzene rings are the electron-donating parts.

Keywords: crystal structure, pyrimidine, D–A–D inter­action

Related literature  

For general background to pyrimidine derivatives and their applications, see: Walker et al. (2009 ▸); van Laar et al. (2001 ▸); Deng et al. (2008 ▸); Nguyen (2008 ▸). For further synthetic details, see: Liu et al. (2007 ▸).graphic file with name e-71-0o978-scheme1.jpg

Experimental  

Crystal data  

  • C28H34N4S

  • M r = 458.65

  • Monoclinic, Inline graphic

  • a = 7.4425 (15) Å

  • b = 12.583 (3) Å

  • c = 27.448 (6) Å

  • β = 99.31 (3)°

  • V = 2536.6 (10) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 0.15 mm−1

  • T = 293 K

  • 0.20 × 0.20 × 0.20 mm

Data collection  

  • Rigaku Saturn724+ CCD diffractometer

  • Absorption correction: multi-scan CrystalClear; Rigaku, 2008 ▸) T min = 0.795, T max = 1.000

  • 12427 measured reflections

  • 4822 independent reflections

  • 4371 reflections with I > 2σ(I)

  • R int = 0.021

Refinement  

  • R[F 2 > 2σ(F 2)] = 0.041

  • wR(F 2) = 0.104

  • S = 1.07

  • 4822 reflections

  • 303 parameters

  • H-atom parameters constrained

  • Δρmax = 0.17 e Å−3

  • Δρmin = −0.29 e Å−3

Data collection: CrystalClear (Rigaku, 2008 ▸); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▸); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015 ▸); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S2056989015021441/hb7541sup1.cif

e-71-0o978-sup1.cif (393.4KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989015021441/hb7541Isup2.hkl

e-71-0o978-Isup2.hkl (384KB, hkl)
Click here for additional data file. (65KB, docx)

Supporting information file. DOI: 10.1107/S2056989015021441/hb7541Isup3.docx

Click here for additional data file. (3.8KB, cdx)

Supporting information file. DOI: 10.1107/S2056989015021441/hb7541Isup4.cdx

Click here for additional data file. (9.8KB, cml)

Supporting information file. DOI: 10.1107/S2056989015021441/hb7541Isup5.cml

Click here for additional data file. (1.2MB, tif)

. DOI: 10.1107/S2056989015021441/hb7541fig1.tif

The title compound.

CCDC reference: 1435236

Additional supporting information: crystallographic information; 3D view; checkCIF report

Acknowledgments

This research was supported financially by the Research Foundation of Jiangsu University (grant No. 13JDG066).

supplementary crystallographic information

Figures

Fig. 1.

Fig. 1.

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The title compound.

Crystal data

C28H34N4S F(000) = 984
Mr = 458.65 Dx = 1.201 Mg m−3
Monoclinic, P21/c Mo Kα radiation, λ = 0.71073 Å
a = 7.4425 (15) Å Cell parameters from 8318 reflections
b = 12.583 (3) Å θ = 3.9–28.7°
c = 27.448 (6) Å µ = 0.15 mm−1
β = 99.31 (3)° T = 293 K
V = 2536.6 (10) Å3 Prism, colorless
Z = 4 0.20 × 0.20 × 0.20 mm
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Data collection

Rigaku Saturn724+ CCD diffractometer 4371 reflections with I > 2σ(I)
Detector resolution: 28.5714 pixels mm-1 Rint = 0.021
dtprofit.ref scans θmax = 26.0°, θmin = 4.0°
Absorption correction: multi-scan CrystalClear; Rigaku, 2008) h = −8→9
Tmin = 0.795, Tmax = 1.000 k = −14→15
12427 measured reflections l = −32→21
4822 independent reflections
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Refinement

Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041 H-atom parameters constrained
wR(F2) = 0.104 w = 1/[σ2(Fo2) + (0.0542P)2 + 0.4771P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max = 0.001
4822 reflections Δρmax = 0.17 e Å−3
303 parameters Δρmin = −0.29 e Å−3
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Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
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Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
S1 0.26097 (5) 1.10814 (3) 0.80444 (2) 0.03105 (12)
N1 0.24791 (15) 0.95402 (9) 0.73631 (4) 0.0268 (3)
N2 0.35953 (16) 0.91412 (9) 0.82151 (4) 0.0275 (3)
N3 0.12735 (17) 0.58633 (10) 0.45410 (4) 0.0326 (3)
N4 0.75955 (18) 0.54619 (10) 1.07267 (5) 0.0361 (3)
C1 0.34216 (19) 0.77758 (11) 0.76064 (5) 0.0277 (3)
H1 0.3574 0.7068 0.7525 0.033*
C2 0.15843 (18) 0.62194 (11) 0.50181 (5) 0.0260 (3)
C3 0.23233 (18) 0.69834 (11) 0.60088 (5) 0.0258 (3)
C4 0.08957 (19) 0.72030 (11) 0.51535 (5) 0.0278 (3)
H4 0.0180 0.7611 0.4915 0.033*
C5 0.12613 (18) 0.75688 (11) 0.56307 (5) 0.0273 (3)
H5 0.0793 0.8223 0.5706 0.033*
C6 0.26230 (19) 0.56204 (11) 0.53969 (5) 0.0275 (3)
H6 0.3075 0.4960 0.5324 0.033*
C7 0.23083 (18) 0.82523 (11) 0.67185 (5) 0.0280 (3)
H7 0.1684 0.8759 0.6509 0.034*
C8 0.29778 (19) 0.59998 (11) 0.58746 (5) 0.0275 (3)
H8 0.3676 0.5588 0.6116 0.033*
C9 0.56244 (18) 0.75441 (11) 0.98657 (5) 0.0278 (3)
H9 0.5156 0.8226 0.9881 0.033*
C10 0.27343 (18) 0.73315 (11) 0.65182 (5) 0.0275 (3)
H10 0.3383 0.6850 0.6736 0.033*
C11 0.69693 (19) 0.59909 (11) 1.02945 (5) 0.0266 (3)
C12 0.27576 (18) 0.85130 (11) 0.72417 (5) 0.0259 (3)
C13 0.70746 (19) 0.55396 (11) 0.98288 (5) 0.0281 (3)
H13 0.7569 0.4864 0.9812 0.034*
C14 0.64582 (19) 0.60825 (11) 0.93992 (5) 0.0280 (3)
H14 0.6542 0.5763 0.9098 0.034*
C15 0.29105 (18) 0.97763 (11) 0.78419 (5) 0.0263 (3)
C16 0.46067 (18) 0.73921 (11) 0.84922 (5) 0.0283 (3)
H16 0.4841 0.6691 0.8416 0.034*
C17 0.62066 (19) 0.70111 (11) 1.03003 (5) 0.0288 (3)
H17 0.6094 0.7328 1.0600 0.035*
C18 0.38519 (18) 0.81161 (11) 0.80933 (5) 0.0262 (3)
C19 0.49716 (18) 0.77085 (11) 0.89650 (5) 0.0283 (3)
H19 0.4716 0.8418 0.9021 0.034*
C20 0.20267 (19) 1.29855 (11) 0.76013 (5) 0.0269 (3)
H20A 0.3254 1.3142 0.7764 0.032*
H20B 0.1200 1.3153 0.7830 0.032*
C21 0.2041 (2) 0.48648 (12) 0.44047 (6) 0.0353 (4)
H21A 0.3341 0.4882 0.4498 0.053*
H21B 0.1737 0.4764 0.4054 0.053*
H21C 0.1553 0.4290 0.4572 0.053*
C22 0.1885 (2) 1.18094 (11) 0.74790 (5) 0.0301 (3)
H22A 0.2656 1.1635 0.7237 0.036*
H22B 0.0639 1.1626 0.7343 0.036*
C23 0.0143 (2) 0.64497 (13) 0.41538 (6) 0.0393 (4)
H23A −0.0994 0.6621 0.4257 0.059*
H23B −0.0079 0.6024 0.3860 0.059*
H23C 0.0754 0.7093 0.4087 0.059*
C24 0.1577 (2) 1.36854 (12) 0.71461 (6) 0.0316 (3)
H24A 0.2276 1.3449 0.6897 0.038*
H24B 0.0296 1.3610 0.7011 0.038*
C25 0.57083 (18) 0.71020 (11) 0.94023 (5) 0.0257 (3)
C26 0.7276 (3) 0.58937 (14) 1.11936 (6) 0.0448 (4)
H26A 0.7862 0.6573 1.1247 0.067*
H26B 0.7764 0.5419 1.1456 0.067*
H26C 0.5991 0.5976 1.1188 0.067*
C27 0.1994 (2) 1.48477 (13) 0.72632 (7) 0.0441 (4)
H27A 0.1323 1.5080 0.7514 0.066*
H27B 0.1648 1.5266 0.6971 0.066*
H27C 0.3274 1.4931 0.7378 0.066*
C28 0.8384 (2) 0.44130 (12) 1.07180 (6) 0.0378 (4)
H28A 0.7500 0.3935 1.0544 0.057*
H28B 0.8745 0.4165 1.1050 0.057*
H28C 0.9429 0.4443 1.0554 0.057*
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Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
S1 0.0411 (2) 0.0249 (2) 0.0253 (2) 0.00081 (15) 0.00000 (16) −0.00120 (13)
N1 0.0254 (6) 0.0266 (6) 0.0281 (7) −0.0005 (5) 0.0034 (5) −0.0013 (5)
N2 0.0277 (6) 0.0266 (6) 0.0277 (6) −0.0004 (5) 0.0030 (5) 0.0009 (5)
N3 0.0387 (7) 0.0337 (7) 0.0241 (6) 0.0033 (6) 0.0012 (5) −0.0021 (5)
N4 0.0495 (8) 0.0314 (7) 0.0266 (7) 0.0039 (6) 0.0038 (6) 0.0023 (5)
C1 0.0287 (7) 0.0245 (7) 0.0302 (8) 0.0005 (6) 0.0057 (6) −0.0008 (6)
C2 0.0244 (7) 0.0293 (7) 0.0247 (7) −0.0035 (6) 0.0055 (5) −0.0001 (6)
C3 0.0242 (7) 0.0275 (7) 0.0264 (7) −0.0011 (6) 0.0058 (5) 0.0011 (6)
C4 0.0279 (7) 0.0279 (7) 0.0271 (7) 0.0022 (6) 0.0030 (6) 0.0052 (6)
C5 0.0289 (7) 0.0242 (7) 0.0293 (8) 0.0019 (6) 0.0060 (6) 0.0007 (6)
C6 0.0284 (7) 0.0250 (7) 0.0299 (8) 0.0015 (6) 0.0067 (6) −0.0007 (6)
C7 0.0264 (7) 0.0295 (8) 0.0275 (7) 0.0012 (6) 0.0024 (6) 0.0015 (6)
C8 0.0280 (7) 0.0276 (8) 0.0265 (7) 0.0015 (6) 0.0032 (6) 0.0037 (6)
C9 0.0258 (7) 0.0247 (7) 0.0327 (8) −0.0003 (6) 0.0042 (6) −0.0036 (6)
C10 0.0251 (7) 0.0298 (8) 0.0273 (7) −0.0001 (6) 0.0033 (5) 0.0022 (6)
C11 0.0247 (7) 0.0274 (7) 0.0277 (7) −0.0034 (6) 0.0044 (6) −0.0005 (6)
C12 0.0206 (7) 0.0286 (7) 0.0289 (8) −0.0019 (6) 0.0050 (5) −0.0024 (6)
C13 0.0285 (7) 0.0244 (7) 0.0317 (8) 0.0015 (6) 0.0056 (6) −0.0020 (6)
C14 0.0282 (7) 0.0306 (8) 0.0255 (7) 0.0007 (6) 0.0057 (6) −0.0041 (6)
C15 0.0230 (7) 0.0275 (7) 0.0281 (8) −0.0026 (6) 0.0036 (5) −0.0010 (6)
C16 0.0288 (7) 0.0269 (7) 0.0296 (8) 0.0003 (6) 0.0061 (6) 0.0017 (6)
C17 0.0309 (7) 0.0293 (8) 0.0268 (8) −0.0010 (6) 0.0065 (6) −0.0050 (6)
C18 0.0218 (7) 0.0289 (7) 0.0284 (7) −0.0011 (6) 0.0060 (5) 0.0014 (6)
C19 0.0247 (7) 0.0278 (7) 0.0325 (8) 0.0001 (6) 0.0051 (6) 0.0009 (6)
C20 0.0264 (7) 0.0271 (7) 0.0269 (7) 0.0007 (6) 0.0038 (6) −0.0003 (6)
C21 0.0400 (8) 0.0375 (9) 0.0292 (8) 0.0009 (7) 0.0079 (6) −0.0060 (6)
C22 0.0342 (8) 0.0293 (8) 0.0254 (7) −0.0024 (6) 0.0002 (6) −0.0005 (6)
C23 0.0493 (9) 0.0411 (9) 0.0253 (8) 0.0017 (8) −0.0004 (7) 0.0002 (7)
C24 0.0293 (8) 0.0347 (8) 0.0311 (8) 0.0048 (6) 0.0059 (6) 0.0051 (6)
C25 0.0221 (7) 0.0274 (7) 0.0277 (7) −0.0020 (6) 0.0043 (5) −0.0006 (6)
C26 0.0611 (11) 0.0480 (10) 0.0251 (8) 0.0043 (8) 0.0066 (8) 0.0021 (7)
C27 0.0385 (9) 0.0329 (9) 0.0618 (12) 0.0038 (7) 0.0107 (8) 0.0122 (8)
C28 0.0381 (9) 0.0349 (9) 0.0406 (9) 0.0042 (7) 0.0068 (7) 0.0095 (7)
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Geometric parameters (Å, º)

S1—C15 1.7597 (15) C13—C14 1.376 (2)
S1—C22 1.8076 (15) C13—H13 0.9300
N1—C15 1.3348 (18) C14—C25 1.400 (2)
N1—C12 1.3590 (18) C14—H14 0.9300
N2—C15 1.3339 (18) C16—C19 1.342 (2)
N2—C18 1.3538 (18) C16—C18 1.4647 (19)
N3—C2 1.3679 (18) C16—H16 0.9300
N3—C23 1.4463 (19) C17—H17 0.9300
N3—C21 1.4539 (19) C19—C25 1.4529 (19)
N4—C11 1.3742 (18) C19—H19 0.9300
N4—C28 1.446 (2) C20—C22 1.517 (2)
N4—C26 1.447 (2) C20—C24 1.5211 (19)
C1—C18 1.391 (2) C20—H20A 0.9700
C1—C12 1.395 (2) C20—H20B 0.9700
C1—H1 0.9300 C21—H21A 0.9600
C2—C6 1.409 (2) C21—H21B 0.9600
C2—C4 1.412 (2) C21—H21C 0.9600
C3—C8 1.401 (2) C22—H22A 0.9700
C3—C5 1.4069 (19) C22—H22B 0.9700
C3—C10 1.450 (2) C23—H23A 0.9600
C4—C5 1.373 (2) C23—H23B 0.9600
C4—H4 0.9300 C23—H23C 0.9600
C5—H5 0.9300 C24—C27 1.519 (2)
C6—C8 1.380 (2) C24—H24A 0.9700
C6—H6 0.9300 C24—H24B 0.9700
C7—C10 1.342 (2) C26—H26A 0.9600
C7—C12 1.458 (2) C26—H26B 0.9600
C7—H7 0.9300 C26—H26C 0.9600
C8—H8 0.9300 C27—H27A 0.9600
C9—C17 1.376 (2) C27—H27B 0.9600
C9—C25 1.399 (2) C27—H27C 0.9600
C9—H9 0.9300 C28—H28A 0.9600
C10—H10 0.9300 C28—H28B 0.9600
C11—C17 1.405 (2) C28—H28C 0.9600
C11—C13 1.413 (2)
C15—S1—C22 103.73 (7) C11—C17—H17 119.8
C15—N1—C12 115.53 (12) N2—C18—C1 120.73 (13)
C15—N2—C18 115.65 (12) N2—C18—C16 117.41 (13)
C2—N3—C23 121.63 (13) C1—C18—C16 121.86 (13)
C2—N3—C21 121.11 (12) C16—C19—C25 129.28 (14)
C23—N3—C21 117.25 (12) C16—C19—H19 115.4
C11—N4—C28 120.65 (13) C25—C19—H19 115.4
C11—N4—C26 120.10 (13) C22—C20—C24 112.62 (12)
C28—N4—C26 118.85 (13) C22—C20—H20A 109.1
C18—C1—C12 118.99 (13) C24—C20—H20A 109.1
C18—C1—H1 120.5 C22—C20—H20B 109.1
C12—C1—H1 120.5 C24—C20—H20B 109.1
N3—C2—C6 121.25 (13) H20A—C20—H20B 107.8
N3—C2—C4 121.79 (13) N3—C21—H21A 109.5
C6—C2—C4 116.97 (13) N3—C21—H21B 109.5
C8—C3—C5 116.50 (13) H21A—C21—H21B 109.5
C8—C3—C10 119.50 (13) N3—C21—H21C 109.5
C5—C3—C10 123.99 (13) H21A—C21—H21C 109.5
C5—C4—C2 121.37 (13) H21B—C21—H21C 109.5
C5—C4—H4 119.3 C20—C22—S1 107.68 (10)
C2—C4—H4 119.3 C20—C22—H22A 110.2
C4—C5—C3 121.95 (13) S1—C22—H22A 110.2
C4—C5—H5 119.0 C20—C22—H22B 110.2
C3—C5—H5 119.0 S1—C22—H22B 110.2
C8—C6—C2 120.91 (13) H22A—C22—H22B 108.5
C8—C6—H6 119.5 N3—C23—H23A 109.5
C2—C6—H6 119.5 N3—C23—H23B 109.5
C10—C7—C12 124.45 (13) H23A—C23—H23B 109.5
C10—C7—H7 117.8 N3—C23—H23C 109.5
C12—C7—H7 117.8 H23A—C23—H23C 109.5
C6—C8—C3 122.29 (13) H23B—C23—H23C 109.5
C6—C8—H8 118.9 C27—C24—C20 111.93 (13)
C3—C8—H8 118.9 C27—C24—H24A 109.2
C17—C9—C25 122.70 (13) C20—C24—H24A 109.2
C17—C9—H9 118.6 C27—C24—H24B 109.2
C25—C9—H9 118.6 C20—C24—H24B 109.2
C7—C10—C3 128.96 (13) H24A—C24—H24B 107.9
C7—C10—H10 115.5 C9—C25—C14 116.53 (13)
C3—C10—H10 115.5 C9—C25—C19 118.42 (13)
N4—C11—C17 120.94 (13) C14—C25—C19 125.02 (13)
N4—C11—C13 121.72 (13) N4—C26—H26A 109.5
C17—C11—C13 117.34 (13) N4—C26—H26B 109.5
N1—C12—C1 120.46 (13) H26A—C26—H26B 109.5
N1—C12—C7 115.82 (12) N4—C26—H26C 109.5
C1—C12—C7 123.72 (13) H26A—C26—H26C 109.5
C14—C13—C11 121.09 (13) H26B—C26—H26C 109.5
C14—C13—H13 119.5 C24—C27—H27A 109.5
C11—C13—H13 119.5 C24—C27—H27B 109.5
C13—C14—C25 121.86 (13) H27A—C27—H27B 109.5
C13—C14—H14 119.1 C24—C27—H27C 109.5
C25—C14—H14 119.1 H27A—C27—H27C 109.5
N2—C15—N1 128.61 (13) H27B—C27—H27C 109.5
N2—C15—S1 111.65 (10) N4—C28—H28A 109.5
N1—C15—S1 119.74 (11) N4—C28—H28B 109.5
C19—C16—C18 122.09 (13) H28A—C28—H28B 109.5
C19—C16—H16 119.0 N4—C28—H28C 109.5
C18—C16—H16 119.0 H28A—C28—H28C 109.5
C9—C17—C11 120.46 (13) H28B—C28—H28C 109.5
C9—C17—H17 119.8
C23—N3—C2—C6 177.24 (14) C17—C11—C13—C14 0.2 (2)
C21—N3—C2—C6 −1.5 (2) C11—C13—C14—C25 0.2 (2)
C23—N3—C2—C4 −3.2 (2) C18—N2—C15—N1 −1.5 (2)
C21—N3—C2—C4 177.99 (13) C18—N2—C15—S1 179.25 (10)
N3—C2—C4—C5 −177.99 (13) C12—N1—C15—N2 0.8 (2)
C6—C2—C4—C5 1.5 (2) C12—N1—C15—S1 180.00 (10)
C2—C4—C5—C3 −0.5 (2) C22—S1—C15—N2 174.93 (10)
C8—C3—C5—C4 −0.6 (2) C22—S1—C15—N1 −4.41 (13)
C10—C3—C5—C4 −179.48 (13) C25—C9—C17—C11 1.8 (2)
N3—C2—C6—C8 177.99 (13) N4—C11—C17—C9 178.41 (13)
C4—C2—C6—C8 −1.5 (2) C13—C11—C17—C9 −1.2 (2)
C2—C6—C8—C3 0.5 (2) C15—N2—C18—C1 0.26 (19)
C5—C3—C8—C6 0.6 (2) C15—N2—C18—C16 179.83 (12)
C10—C3—C8—C6 179.53 (13) C12—C1—C18—N2 1.4 (2)
C12—C7—C10—C3 178.55 (13) C12—C1—C18—C16 −178.11 (12)
C8—C3—C10—C7 177.03 (14) C19—C16—C18—N2 2.6 (2)
C5—C3—C10—C7 −4.1 (2) C19—C16—C18—C1 −177.88 (13)
C28—N4—C11—C17 −179.83 (13) C18—C16—C19—C25 179.77 (13)
C26—N4—C11—C17 7.6 (2) C24—C20—C22—S1 175.96 (10)
C28—N4—C11—C13 −0.3 (2) C15—S1—C22—C20 −166.56 (10)
C26—N4—C11—C13 −172.87 (14) C22—C20—C24—C27 −171.53 (13)
C15—N1—C12—C1 1.11 (19) C17—C9—C25—C14 −1.3 (2)
C15—N1—C12—C7 −179.34 (12) C17—C9—C25—C19 176.85 (13)
C18—C1—C12—N1 −2.2 (2) C13—C14—C25—C9 0.3 (2)
C18—C1—C12—C7 178.32 (13) C13—C14—C25—C19 −177.72 (13)
C10—C7—C12—N1 169.79 (13) C16—C19—C25—C9 −167.16 (14)
C10—C7—C12—C1 −10.7 (2) C16—C19—C25—C14 10.8 (2)
N4—C11—C13—C14 −179.37 (13)
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Footnotes

Supporting information for this paper is available from the IUCr electronic archives (Reference: HB7541).

References

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Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S2056989015021441/hb7541sup1.cif

e-71-0o978-sup1.cif (393.4KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989015021441/hb7541Isup2.hkl

e-71-0o978-Isup2.hkl (384KB, hkl)
Click here for additional data file. (65KB, docx)

Supporting information file. DOI: 10.1107/S2056989015021441/hb7541Isup3.docx

Click here for additional data file. (3.8KB, cdx)

Supporting information file. DOI: 10.1107/S2056989015021441/hb7541Isup4.cdx

Click here for additional data file. (9.8KB, cml)

Supporting information file. DOI: 10.1107/S2056989015021441/hb7541Isup5.cml

Click here for additional data file. (1.2MB, tif)

. DOI: 10.1107/S2056989015021441/hb7541fig1.tif

The title compound.

CCDC reference: 1435236

Additional supporting information: crystallographic information; 3D view; checkCIF report

Articles from Acta Crystallographica Section E: Crystallographic Communications are provided here courtesy of International Union of Crystallography

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